data_17833 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17833 _Entry.Title ; Skint1 IgV ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-05 _Entry.Accession_date 2011-08-05 _Entry.Last_release_date 2016-02-29 _Entry.Original_release_date 2016-02-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.99 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR chemical shift data for domain 1 of Skint 1' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Mahboob Salim . . . . 17833 2 Timothy Knowles . J. . . 17833 3 Carrie Willcox . . . . 17833 4 Fiyaz Mohammed . . . . 17833 5 Martin Woodard . . . . 17833 6 Michael Overduin . . . . 17833 7 Adrian Hayday . C. . . 17833 8 Benjamin Willcox . E. . . 17833 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'School of Cancer Sciences' . 17833 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17833 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 424 17833 '15N chemical shifts' 99 17833 '1H chemical shifts' 641 17833 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-02-29 . original BMRB . 17833 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 17833 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Characterisation of a putative receptor binding surface on Skint-1, a critical determinant of dendritic epidermal T cell selection ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mahboob Salim . . . . 17833 1 2 Timothy Knowles . J. . . 17833 1 3 Carrie Willcox . . . . 17833 1 4 Fiyaz Mohammed . . . . 17833 1 5 Martin Woodard . . . . 17833 1 6 Michael Overduin . . . . 17833 1 7 Adrian Hayday . C. . . 17833 1 8 Benjamin Willcox . E. . . 17833 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17833 _Assembly.ID 1 _Assembly.Name 'Skint1 IgV' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13500 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Skint1 IgV' 1 $Skint1_IgV A . yes native no no . . . 17833 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 27 27 SG . 1 . 1 CYS 101 101 SG . . . . . . . . . . 17833 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Skint1_IgV _Entity.Sf_category entity _Entity.Sf_framecode Skint1_IgV _Entity.Entry_ID 17833 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Skint1_IgV _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSSEPFIVNGLEGPVLASLG GNLELSCQLSPPQQAQHMEI RWFRNLYTEPVHLYRDGKDM FGEIISKYVERTELLKDGIG EGKVTLRIFNVTVDDDGSYH CVFKDGDFYEEHITEVKITM SSEPFIVNGLEGPVLASLGG NLELSCQLSPPQQAQHMEIR WFRNLYTEPVHLYRDGKDMF GEIISKYVERTELLKDGIGE GKVTLRIFNVTVDDDGSYHC VFKDGDFYEEHITEVKIT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details '2 to 119 is the distal membrane Ig variable domain' _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 238 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Skint1 IgV domain' _Entity.Mutation none _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'selecting gene for a DETC gamma delta T cell subset' 17833 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17833 1 2 . SER . 17833 1 3 . SER . 17833 1 4 . GLU . 17833 1 5 . PRO . 17833 1 6 . PHE . 17833 1 7 . ILE . 17833 1 8 . VAL . 17833 1 9 . ASN . 17833 1 10 . GLY . 17833 1 11 . LEU . 17833 1 12 . GLU . 17833 1 13 . GLY . 17833 1 14 . PRO . 17833 1 15 . VAL . 17833 1 16 . LEU . 17833 1 17 . ALA . 17833 1 18 . SER . 17833 1 19 . LEU . 17833 1 20 . GLY . 17833 1 21 . GLY . 17833 1 22 . ASN . 17833 1 23 . LEU . 17833 1 24 . GLU . 17833 1 25 . LEU . 17833 1 26 . SER . 17833 1 27 . CYS . 17833 1 28 . GLN . 17833 1 29 . LEU . 17833 1 30 . SER . 17833 1 31 . PRO . 17833 1 32 . PRO . 17833 1 33 . GLN . 17833 1 34 . GLN . 17833 1 35 . ALA . 17833 1 36 . GLN . 17833 1 37 . HIS . 17833 1 38 . MET . 17833 1 39 . GLU . 17833 1 40 . ILE . 17833 1 41 . ARG . 17833 1 42 . TRP . 17833 1 43 . PHE . 17833 1 44 . ARG . 17833 1 45 . ASN . 17833 1 46 . LEU . 17833 1 47 . TYR . 17833 1 48 . THR . 17833 1 49 . GLU . 17833 1 50 . PRO . 17833 1 51 . VAL . 17833 1 52 . HIS . 17833 1 53 . LEU . 17833 1 54 . TYR . 17833 1 55 . ARG . 17833 1 56 . ASP . 17833 1 57 . GLY . 17833 1 58 . LYS . 17833 1 59 . ASP . 17833 1 60 . MET . 17833 1 61 . PHE . 17833 1 62 . GLY . 17833 1 63 . GLU . 17833 1 64 . ILE . 17833 1 65 . ILE . 17833 1 66 . SER . 17833 1 67 . LYS . 17833 1 68 . TYR . 17833 1 69 . VAL . 17833 1 70 . GLU . 17833 1 71 . ARG . 17833 1 72 . THR . 17833 1 73 . GLU . 17833 1 74 . LEU . 17833 1 75 . LEU . 17833 1 76 . LYS . 17833 1 77 . ASP . 17833 1 78 . GLY . 17833 1 79 . ILE . 17833 1 80 . GLY . 17833 1 81 . GLU . 17833 1 82 . GLY . 17833 1 83 . LYS . 17833 1 84 . VAL . 17833 1 85 . THR . 17833 1 86 . LEU . 17833 1 87 . ARG . 17833 1 88 . ILE . 17833 1 89 . PHE . 17833 1 90 . ASN . 17833 1 91 . VAL . 17833 1 92 . THR . 17833 1 93 . VAL . 17833 1 94 . ASP . 17833 1 95 . ASP . 17833 1 96 . ASP . 17833 1 97 . GLY . 17833 1 98 . SER . 17833 1 99 . TYR . 17833 1 100 . HIS . 17833 1 101 . CYS . 17833 1 102 . VAL . 17833 1 103 . PHE . 17833 1 104 . LYS . 17833 1 105 . ASP . 17833 1 106 . GLY . 17833 1 107 . ASP . 17833 1 108 . PHE . 17833 1 109 . TYR . 17833 1 110 . GLU . 17833 1 111 . GLU . 17833 1 112 . HIS . 17833 1 113 . ILE . 17833 1 114 . THR . 17833 1 115 . GLU . 17833 1 116 . VAL . 17833 1 117 . LYS . 17833 1 118 . ILE . 17833 1 119 . THR . 17833 1 120 . MET . 17833 1 121 . SER . 17833 1 122 . SER . 17833 1 123 . GLU . 17833 1 124 . PRO . 17833 1 125 . PHE . 17833 1 126 . ILE . 17833 1 127 . VAL . 17833 1 128 . ASN . 17833 1 129 . GLY . 17833 1 130 . LEU . 17833 1 131 . GLU . 17833 1 132 . GLY . 17833 1 133 . PRO . 17833 1 134 . VAL . 17833 1 135 . LEU . 17833 1 136 . ALA . 17833 1 137 . SER . 17833 1 138 . LEU . 17833 1 139 . GLY . 17833 1 140 . GLY . 17833 1 141 . ASN . 17833 1 142 . LEU . 17833 1 143 . GLU . 17833 1 144 . LEU . 17833 1 145 . SER . 17833 1 146 . CYS . 17833 1 147 . GLN . 17833 1 148 . LEU . 17833 1 149 . SER . 17833 1 150 . PRO . 17833 1 151 . PRO . 17833 1 152 . GLN . 17833 1 153 . GLN . 17833 1 154 . ALA . 17833 1 155 . GLN . 17833 1 156 . HIS . 17833 1 157 . MET . 17833 1 158 . GLU . 17833 1 159 . ILE . 17833 1 160 . ARG . 17833 1 161 . TRP . 17833 1 162 . PHE . 17833 1 163 . ARG . 17833 1 164 . ASN . 17833 1 165 . LEU . 17833 1 166 . TYR . 17833 1 167 . THR . 17833 1 168 . GLU . 17833 1 169 . PRO . 17833 1 170 . VAL . 17833 1 171 . HIS . 17833 1 172 . LEU . 17833 1 173 . TYR . 17833 1 174 . ARG . 17833 1 175 . ASP . 17833 1 176 . GLY . 17833 1 177 . LYS . 17833 1 178 . ASP . 17833 1 179 . MET . 17833 1 180 . PHE . 17833 1 181 . GLY . 17833 1 182 . GLU . 17833 1 183 . ILE . 17833 1 184 . ILE . 17833 1 185 . SER . 17833 1 186 . LYS . 17833 1 187 . TYR . 17833 1 188 . VAL . 17833 1 189 . GLU . 17833 1 190 . ARG . 17833 1 191 . THR . 17833 1 192 . GLU . 17833 1 193 . LEU . 17833 1 194 . LEU . 17833 1 195 . LYS . 17833 1 196 . ASP . 17833 1 197 . GLY . 17833 1 198 . ILE . 17833 1 199 . GLY . 17833 1 200 . GLU . 17833 1 201 . GLY . 17833 1 202 . LYS . 17833 1 203 . VAL . 17833 1 204 . THR . 17833 1 205 . LEU . 17833 1 206 . ARG . 17833 1 207 . ILE . 17833 1 208 . PHE . 17833 1 209 . ASN . 17833 1 210 . VAL . 17833 1 211 . THR . 17833 1 212 . VAL . 17833 1 213 . ASP . 17833 1 214 . ASP . 17833 1 215 . ASP . 17833 1 216 . GLY . 17833 1 217 . SER . 17833 1 218 . TYR . 17833 1 219 . HIS . 17833 1 220 . CYS . 17833 1 221 . VAL . 17833 1 222 . PHE . 17833 1 223 . LYS . 17833 1 224 . ASP . 17833 1 225 . GLY . 17833 1 226 . ASP . 17833 1 227 . PHE . 17833 1 228 . TYR . 17833 1 229 . GLU . 17833 1 230 . GLU . 17833 1 231 . HIS . 17833 1 232 . ILE . 17833 1 233 . THR . 17833 1 234 . GLU . 17833 1 235 . VAL . 17833 1 236 . LYS . 17833 1 237 . ILE . 17833 1 238 . THR . 17833 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17833 1 . SER 2 2 17833 1 . SER 3 3 17833 1 . GLU 4 4 17833 1 . PRO 5 5 17833 1 . PHE 6 6 17833 1 . ILE 7 7 17833 1 . VAL 8 8 17833 1 . ASN 9 9 17833 1 . GLY 10 10 17833 1 . LEU 11 11 17833 1 . GLU 12 12 17833 1 . GLY 13 13 17833 1 . PRO 14 14 17833 1 . VAL 15 15 17833 1 . LEU 16 16 17833 1 . ALA 17 17 17833 1 . SER 18 18 17833 1 . LEU 19 19 17833 1 . GLY 20 20 17833 1 . GLY 21 21 17833 1 . ASN 22 22 17833 1 . LEU 23 23 17833 1 . GLU 24 24 17833 1 . LEU 25 25 17833 1 . SER 26 26 17833 1 . CYS 27 27 17833 1 . GLN 28 28 17833 1 . LEU 29 29 17833 1 . SER 30 30 17833 1 . PRO 31 31 17833 1 . PRO 32 32 17833 1 . GLN 33 33 17833 1 . GLN 34 34 17833 1 . ALA 35 35 17833 1 . GLN 36 36 17833 1 . HIS 37 37 17833 1 . MET 38 38 17833 1 . GLU 39 39 17833 1 . ILE 40 40 17833 1 . ARG 41 41 17833 1 . TRP 42 42 17833 1 . PHE 43 43 17833 1 . ARG 44 44 17833 1 . ASN 45 45 17833 1 . LEU 46 46 17833 1 . TYR 47 47 17833 1 . THR 48 48 17833 1 . GLU 49 49 17833 1 . PRO 50 50 17833 1 . VAL 51 51 17833 1 . HIS 52 52 17833 1 . LEU 53 53 17833 1 . TYR 54 54 17833 1 . ARG 55 55 17833 1 . ASP 56 56 17833 1 . GLY 57 57 17833 1 . LYS 58 58 17833 1 . ASP 59 59 17833 1 . MET 60 60 17833 1 . PHE 61 61 17833 1 . GLY 62 62 17833 1 . GLU 63 63 17833 1 . ILE 64 64 17833 1 . ILE 65 65 17833 1 . SER 66 66 17833 1 . LYS 67 67 17833 1 . TYR 68 68 17833 1 . VAL 69 69 17833 1 . GLU 70 70 17833 1 . ARG 71 71 17833 1 . THR 72 72 17833 1 . GLU 73 73 17833 1 . LEU 74 74 17833 1 . LEU 75 75 17833 1 . LYS 76 76 17833 1 . ASP 77 77 17833 1 . GLY 78 78 17833 1 . ILE 79 79 17833 1 . GLY 80 80 17833 1 . GLU 81 81 17833 1 . GLY 82 82 17833 1 . LYS 83 83 17833 1 . VAL 84 84 17833 1 . THR 85 85 17833 1 . LEU 86 86 17833 1 . ARG 87 87 17833 1 . ILE 88 88 17833 1 . PHE 89 89 17833 1 . ASN 90 90 17833 1 . VAL 91 91 17833 1 . THR 92 92 17833 1 . VAL 93 93 17833 1 . ASP 94 94 17833 1 . ASP 95 95 17833 1 . ASP 96 96 17833 1 . GLY 97 97 17833 1 . SER 98 98 17833 1 . TYR 99 99 17833 1 . HIS 100 100 17833 1 . CYS 101 101 17833 1 . VAL 102 102 17833 1 . PHE 103 103 17833 1 . LYS 104 104 17833 1 . ASP 105 105 17833 1 . GLY 106 106 17833 1 . ASP 107 107 17833 1 . PHE 108 108 17833 1 . TYR 109 109 17833 1 . GLU 110 110 17833 1 . GLU 111 111 17833 1 . HIS 112 112 17833 1 . ILE 113 113 17833 1 . THR 114 114 17833 1 . GLU 115 115 17833 1 . VAL 116 116 17833 1 . LYS 117 117 17833 1 . ILE 118 118 17833 1 . THR 119 119 17833 1 . MET 120 120 17833 1 . SER 121 121 17833 1 . SER 122 122 17833 1 . GLU 123 123 17833 1 . PRO 124 124 17833 1 . PHE 125 125 17833 1 . ILE 126 126 17833 1 . VAL 127 127 17833 1 . ASN 128 128 17833 1 . GLY 129 129 17833 1 . LEU 130 130 17833 1 . GLU 131 131 17833 1 . GLY 132 132 17833 1 . PRO 133 133 17833 1 . VAL 134 134 17833 1 . LEU 135 135 17833 1 . ALA 136 136 17833 1 . SER 137 137 17833 1 . LEU 138 138 17833 1 . GLY 139 139 17833 1 . GLY 140 140 17833 1 . ASN 141 141 17833 1 . LEU 142 142 17833 1 . GLU 143 143 17833 1 . LEU 144 144 17833 1 . SER 145 145 17833 1 . CYS 146 146 17833 1 . GLN 147 147 17833 1 . LEU 148 148 17833 1 . SER 149 149 17833 1 . PRO 150 150 17833 1 . PRO 151 151 17833 1 . GLN 152 152 17833 1 . GLN 153 153 17833 1 . ALA 154 154 17833 1 . GLN 155 155 17833 1 . HIS 156 156 17833 1 . MET 157 157 17833 1 . GLU 158 158 17833 1 . ILE 159 159 17833 1 . ARG 160 160 17833 1 . TRP 161 161 17833 1 . PHE 162 162 17833 1 . ARG 163 163 17833 1 . ASN 164 164 17833 1 . LEU 165 165 17833 1 . TYR 166 166 17833 1 . THR 167 167 17833 1 . GLU 168 168 17833 1 . PRO 169 169 17833 1 . VAL 170 170 17833 1 . HIS 171 171 17833 1 . LEU 172 172 17833 1 . TYR 173 173 17833 1 . ARG 174 174 17833 1 . ASP 175 175 17833 1 . GLY 176 176 17833 1 . LYS 177 177 17833 1 . ASP 178 178 17833 1 . MET 179 179 17833 1 . PHE 180 180 17833 1 . GLY 181 181 17833 1 . GLU 182 182 17833 1 . ILE 183 183 17833 1 . ILE 184 184 17833 1 . SER 185 185 17833 1 . LYS 186 186 17833 1 . TYR 187 187 17833 1 . VAL 188 188 17833 1 . GLU 189 189 17833 1 . ARG 190 190 17833 1 . THR 191 191 17833 1 . GLU 192 192 17833 1 . LEU 193 193 17833 1 . LEU 194 194 17833 1 . LYS 195 195 17833 1 . ASP 196 196 17833 1 . GLY 197 197 17833 1 . ILE 198 198 17833 1 . GLY 199 199 17833 1 . GLU 200 200 17833 1 . GLY 201 201 17833 1 . LYS 202 202 17833 1 . VAL 203 203 17833 1 . THR 204 204 17833 1 . LEU 205 205 17833 1 . ARG 206 206 17833 1 . ILE 207 207 17833 1 . PHE 208 208 17833 1 . ASN 209 209 17833 1 . VAL 210 210 17833 1 . THR 211 211 17833 1 . VAL 212 212 17833 1 . ASP 213 213 17833 1 . ASP 214 214 17833 1 . ASP 215 215 17833 1 . GLY 216 216 17833 1 . SER 217 217 17833 1 . TYR 218 218 17833 1 . HIS 219 219 17833 1 . CYS 220 220 17833 1 . VAL 221 221 17833 1 . PHE 222 222 17833 1 . LYS 223 223 17833 1 . ASP 224 224 17833 1 . GLY 225 225 17833 1 . ASP 226 226 17833 1 . PHE 227 227 17833 1 . TYR 228 228 17833 1 . GLU 229 229 17833 1 . GLU 230 230 17833 1 . HIS 231 231 17833 1 . ILE 232 232 17833 1 . THR 233 233 17833 1 . GLU 234 234 17833 1 . VAL 235 235 17833 1 . LYS 236 236 17833 1 . ILE 237 237 17833 1 . THR 238 238 17833 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17833 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Skint1_IgV . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 17833 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17833 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Skint1_IgV . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET23a . . . 17833 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17833 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Skint1 IgV' '[U-100% 13C; U-100% 15N]' . . 1 $Skint1_IgV . . 1.4 . . mM . . . . 17833 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17833 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17833 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17833 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 17833 1 pH 6.5 . pH 17833 1 pressure 1 . atm 17833 1 temperature 273 . K 17833 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17833 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17833 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17833 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17833 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17833 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 17833 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17833 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17833 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17833 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17833 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17833 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17833 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17833 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17833 1 8 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17833 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17833 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17833 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17833 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17833 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17833 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17833 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17833 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17833 1 2 '3D HNCA' . . . 17833 1 3 '3D HN(CO)CA' . . . 17833 1 4 '3D HNCACB' . . . 17833 1 5 '3D CBCA(CO)NH' . . . 17833 1 6 '3D HNCO' . . . 17833 1 7 '3D HN(CA)CO' . . . 17833 1 8 '2D 1H-1H TOCSY' . . . 17833 1 9 '3D C(CO)NH' . . . 17833 1 10 '3D H(CCO)NH' . . . 17833 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 177.248 0.000 . 1 . . . . 1 M C . 17833 1 2 . 1 1 1 1 MET CA C 13 54.967 0.000 . 1 . . . . 1 M CA . 17833 1 3 . 1 1 2 2 SER H H 1 8.322 0.001 . 1 . . . . 2 S H . 17833 1 4 . 1 1 2 2 SER HA H 1 4.467 0.009 . 1 . . . . 2 S HA . 17833 1 5 . 1 1 2 2 SER HB2 H 1 3.878 0.005 . 2 . . . . 2 S HB2 . 17833 1 6 . 1 1 2 2 SER HB3 H 1 3.874 0.006 . 2 . . . . 2 S HB3 . 17833 1 7 . 1 1 2 2 SER C C 13 174.909 0.007 . 1 . . . . 2 S C . 17833 1 8 . 1 1 2 2 SER CA C 13 58.542 0.175 . 1 . . . . 2 S CA . 17833 1 9 . 1 1 2 2 SER CB C 13 63.724 0.089 . 1 . . . . 2 S CB . 17833 1 10 . 1 1 2 2 SER N N 15 121.595 0.034 . 1 . . . . 2 S N . 17833 1 11 . 1 1 3 3 SER H H 1 8.412 0.002 . 1 . . . . 3 S H . 17833 1 12 . 1 1 3 3 SER HA H 1 4.449 0.011 . 1 . . . . 3 S HA . 17833 1 13 . 1 1 3 3 SER HB2 H 1 3.872 0.007 . 2 . . . . 3 S HB2 . 17833 1 14 . 1 1 3 3 SER HB3 H 1 3.876 0.006 . 2 . . . . 3 S HB3 . 17833 1 15 . 1 1 3 3 SER C C 13 174.003 0.007 . 1 . . . . 3 S C . 17833 1 16 . 1 1 3 3 SER CA C 13 58.376 0.062 . 1 . . . . 3 S CA . 17833 1 17 . 1 1 3 3 SER CB C 13 63.727 0.151 . 1 . . . . 3 S CB . 17833 1 18 . 1 1 3 3 SER N N 15 117.871 0.052 . 1 . . . . 3 S N . 17833 1 19 . 1 1 4 4 GLU H H 1 8.319 0.004 . 1 . . . . 4 E H . 17833 1 20 . 1 1 4 4 GLU HA H 1 4.391 0.003 . 1 . . . . 4 E HA . 17833 1 21 . 1 1 4 4 GLU HB2 H 1 1.937 0.009 . 2 . . . . 4 E HB2 . 17833 1 22 . 1 1 4 4 GLU HB3 H 1 1.792 0.008 . 2 . . . . 4 E HB3 . 17833 1 23 . 1 1 4 4 GLU HG2 H 1 2.256 0.003 . 2 . . . . 4 E HG2 . 17833 1 24 . 1 1 4 4 GLU HG3 H 1 2.258 0.003 . 2 . . . . 4 E HG3 . 17833 1 25 . 1 1 4 4 GLU C C 13 174.525 0.000 . 1 . . . . 4 E C . 17833 1 26 . 1 1 4 4 GLU CA C 13 54.364 0.161 . 1 . . . . 4 E CA . 17833 1 27 . 1 1 4 4 GLU CB C 13 29.769 0.132 . 1 . . . . 4 E CB . 17833 1 28 . 1 1 4 4 GLU N N 15 122.851 0.058 . 1 . . . . 4 E N . 17833 1 29 . 1 1 5 5 PRO HA H 1 3.620 0.010 . 1 . . . . 5 P HA . 17833 1 30 . 1 1 5 5 PRO HB2 H 1 1.988 0.012 . 2 . . . . 5 P HB2 . 17833 1 31 . 1 1 5 5 PRO HB3 H 1 1.725 0.010 . 2 . . . . 5 P HB3 . 17833 1 32 . 1 1 5 5 PRO HG2 H 1 1.578 0.011 . 2 . . . . 5 P HG2 . 17833 1 33 . 1 1 5 5 PRO HG3 H 1 1.640 0.008 . 2 . . . . 5 P HG3 . 17833 1 34 . 1 1 5 5 PRO HD2 H 1 3.338 0.006 . 2 . . . . 5 P HD2 . 17833 1 35 . 1 1 5 5 PRO HD3 H 1 2.729 0.007 . 2 . . . . 5 P HD3 . 17833 1 36 . 1 1 5 5 PRO C C 13 175.903 0.000 . 1 . . . . 5 P C . 17833 1 37 . 1 1 5 5 PRO CA C 13 64.034 0.119 . 1 . . . . 5 P CA . 17833 1 38 . 1 1 5 5 PRO CB C 13 32.267 0.229 . 1 . . . . 5 P CB . 17833 1 39 . 1 1 5 5 PRO CG C 13 27.456 0.106 . 1 . . . . 5 P CG . 17833 1 40 . 1 1 5 5 PRO CD C 13 50.076 0.121 . 1 . . . . 5 P CD . 17833 1 41 . 1 1 6 6 PHE H H 1 6.322 0.008 . 1 . . . . 6 F H . 17833 1 42 . 1 1 6 6 PHE HA H 1 5.231 0.009 . 1 . . . . 6 F HA . 17833 1 43 . 1 1 6 6 PHE HB2 H 1 3.090 0.006 . 2 . . . . 6 F HB2 . 17833 1 44 . 1 1 6 6 PHE HB3 H 1 3.039 0.008 . 2 . . . . 6 F HB3 . 17833 1 45 . 1 1 6 6 PHE C C 13 174.105 0.003 . 1 . . . . 6 F C . 17833 1 46 . 1 1 6 6 PHE CA C 13 55.349 0.124 . 1 . . . . 6 F CA . 17833 1 47 . 1 1 6 6 PHE CB C 13 41.341 0.117 . 1 . . . . 6 F CB . 17833 1 48 . 1 1 6 6 PHE N N 15 113.734 0.094 . 1 . . . . 6 F N . 17833 1 49 . 1 1 7 7 ILE H H 1 8.579 0.002 . 1 . . . . 7 I H . 17833 1 50 . 1 1 7 7 ILE HA H 1 4.453 0.007 . 1 . . . . 7 I HA . 17833 1 51 . 1 1 7 7 ILE HB H 1 1.992 0.005 . 1 . . . . 7 I HB . 17833 1 52 . 1 1 7 7 ILE HG12 H 1 1.305 0.008 . 2 . . . . 7 I HG12 . 17833 1 53 . 1 1 7 7 ILE HG13 H 1 1.162 0.005 . 2 . . . . 7 I HG13 . 17833 1 54 . 1 1 7 7 ILE HG21 H 1 0.960 0.004 . 2 . . . . 7 I HG2 . 17833 1 55 . 1 1 7 7 ILE HG22 H 1 0.960 0.004 . 2 . . . . 7 I HG2 . 17833 1 56 . 1 1 7 7 ILE HG23 H 1 0.960 0.004 . 2 . . . . 7 I HG2 . 17833 1 57 . 1 1 7 7 ILE HD11 H 1 0.883 0.006 . 2 . . . . 7 I HD1 . 17833 1 58 . 1 1 7 7 ILE HD12 H 1 0.883 0.006 . 2 . . . . 7 I HD1 . 17833 1 59 . 1 1 7 7 ILE HD13 H 1 0.883 0.006 . 2 . . . . 7 I HD1 . 17833 1 60 . 1 1 7 7 ILE C C 13 174.389 0.163 . 1 . . . . 7 I C . 17833 1 61 . 1 1 7 7 ILE CA C 13 60.165 0.130 . 1 . . . . 7 I CA . 17833 1 62 . 1 1 7 7 ILE CB C 13 41.419 0.160 . 1 . . . . 7 I CB . 17833 1 63 . 1 1 7 7 ILE CG1 C 13 26.900 0.138 . 1 . . . . 7 I CG1 . 17833 1 64 . 1 1 7 7 ILE CG2 C 13 18.602 0.173 . 1 . . . . 7 I CG2 . 17833 1 65 . 1 1 7 7 ILE CD1 C 13 14.039 0.191 . 1 . . . . 7 I CD1 . 17833 1 66 . 1 1 7 7 ILE N N 15 113.260 0.095 . 1 . . . . 7 I N . 17833 1 67 . 1 1 8 8 VAL H H 1 8.712 0.004 . 1 . . . . 8 V H . 17833 1 68 . 1 1 8 8 VAL HA H 1 4.213 0.010 . 1 . . . . 8 V HA . 17833 1 69 . 1 1 8 8 VAL HB H 1 1.698 0.008 . 1 . . . . 8 V HB . 17833 1 70 . 1 1 8 8 VAL HG11 H 1 0.867 0.006 . 2 . . . . 8 V MG1 . 17833 1 71 . 1 1 8 8 VAL HG12 H 1 0.867 0.006 . 2 . . . . 8 V MG1 . 17833 1 72 . 1 1 8 8 VAL HG13 H 1 0.867 0.006 . 2 . . . . 8 V MG1 . 17833 1 73 . 1 1 8 8 VAL HG21 H 1 0.766 0.008 . 2 . . . . 8 V MG2 . 17833 1 74 . 1 1 8 8 VAL HG22 H 1 0.766 0.008 . 2 . . . . 8 V MG2 . 17833 1 75 . 1 1 8 8 VAL HG23 H 1 0.766 0.008 . 2 . . . . 8 V MG2 . 17833 1 76 . 1 1 8 8 VAL C C 13 174.534 0.006 . 1 . . . . 8 V C . 17833 1 77 . 1 1 8 8 VAL CA C 13 61.631 0.097 . 1 . . . . 8 V CA . 17833 1 78 . 1 1 8 8 VAL CB C 13 33.524 0.150 . 1 . . . . 8 V CB . 17833 1 79 . 1 1 8 8 VAL CG1 C 13 24.456 0.109 . 2 . . . . 8 V CG1 . 17833 1 80 . 1 1 8 8 VAL CG2 C 13 22.224 0.179 . 2 . . . . 8 V CG2 . 17833 1 81 . 1 1 8 8 VAL N N 15 121.854 0.070 . 1 . . . . 8 V N . 17833 1 82 . 1 1 9 9 ASN H H 1 8.944 0.005 . 1 . . . . 9 N H . 17833 1 83 . 1 1 9 9 ASN HA H 1 4.958 0.007 . 1 . . . . 9 N HA . 17833 1 84 . 1 1 9 9 ASN HB2 H 1 2.729 0.004 . 2 . . . . 9 N HB2 . 17833 1 85 . 1 1 9 9 ASN HB3 H 1 2.422 0.005 . 2 . . . . 9 N HB3 . 17833 1 86 . 1 1 9 9 ASN C C 13 174.237 0.005 . 1 . . . . 9 N C . 17833 1 87 . 1 1 9 9 ASN CA C 13 50.909 0.124 . 1 . . . . 9 N CA . 17833 1 88 . 1 1 9 9 ASN CB C 13 41.923 0.124 . 1 . . . . 9 N CB . 17833 1 89 . 1 1 9 9 ASN N N 15 125.365 0.060 . 1 . . . . 9 N N . 17833 1 90 . 1 1 10 10 GLY H H 1 7.380 0.003 . 1 . . . . 10 G H . 17833 1 91 . 1 1 10 10 GLY HA2 H 1 3.849 0.008 . 2 . . . . 10 G HA2 . 17833 1 92 . 1 1 10 10 GLY HA3 H 1 3.846 0.009 . 2 . . . . 10 G HA3 . 17833 1 93 . 1 1 10 10 GLY C C 13 172.289 0.008 . 1 . . . . 10 G C . 17833 1 94 . 1 1 10 10 GLY CA C 13 46.166 0.095 . 1 . . . . 10 G CA . 17833 1 95 . 1 1 10 10 GLY N N 15 104.395 0.050 . 1 . . . . 10 G N . 17833 1 96 . 1 1 11 11 LEU H H 1 8.418 0.005 . 1 . . . . 11 L H . 17833 1 97 . 1 1 11 11 LEU HA H 1 4.388 0.009 . 1 . . . . 11 L HA . 17833 1 98 . 1 1 11 11 LEU HB2 H 1 1.818 0.008 . 2 . . . . 11 L HB2 . 17833 1 99 . 1 1 11 11 LEU HB3 H 1 1.534 0.007 . 2 . . . . 11 L HB3 . 17833 1 100 . 1 1 11 11 LEU HD11 H 1 1.094 0.004 . 2 . . . . 11 L HD1 . 17833 1 101 . 1 1 11 11 LEU HD12 H 1 1.094 0.004 . 2 . . . . 11 L HD1 . 17833 1 102 . 1 1 11 11 LEU HD13 H 1 1.094 0.004 . 2 . . . . 11 L HD1 . 17833 1 103 . 1 1 11 11 LEU HD21 H 1 0.926 0.009 . 2 . . . . 11 L HD2 . 17833 1 104 . 1 1 11 11 LEU HD22 H 1 0.926 0.009 . 2 . . . . 11 L HD2 . 17833 1 105 . 1 1 11 11 LEU HD23 H 1 0.926 0.009 . 2 . . . . 11 L HD2 . 17833 1 106 . 1 1 11 11 LEU C C 13 178.758 0.006 . 1 . . . . 11 L C . 17833 1 107 . 1 1 11 11 LEU CA C 13 55.116 0.186 . 1 . . . . 11 L CA . 17833 1 108 . 1 1 11 11 LEU CB C 13 42.149 0.170 . 1 . . . . 11 L CB . 17833 1 109 . 1 1 11 11 LEU CD1 C 13 26.077 0.160 . 2 . . . . 11 L CD1 . 17833 1 110 . 1 1 11 11 LEU CD2 C 13 22.784 0.109 . 2 . . . . 11 L CD2 . 17833 1 111 . 1 1 11 11 LEU N N 15 120.589 0.077 . 1 . . . . 11 L N . 17833 1 112 . 1 1 12 12 GLU H H 1 9.012 0.017 . 1 . . . . 12 E H . 17833 1 113 . 1 1 12 12 GLU HA H 1 4.519 0.011 . 1 . . . . 12 E HA . 17833 1 114 . 1 1 12 12 GLU HB2 H 1 2.182 0.013 . 2 . . . . 12 E HB2 . 17833 1 115 . 1 1 12 12 GLU HB3 H 1 2.160 0.012 . 2 . . . . 12 E HB3 . 17833 1 116 . 1 1 12 12 GLU HG2 H 1 2.507 0.005 . 2 . . . . 12 E HG2 . 17833 1 117 . 1 1 12 12 GLU HG3 H 1 2.508 0.005 . 2 . . . . 12 E HG3 . 17833 1 118 . 1 1 12 12 GLU C C 13 178.192 0.003 . 1 . . . . 12 E C . 17833 1 119 . 1 1 12 12 GLU CA C 13 58.017 0.135 . 1 . . . . 12 E CA . 17833 1 120 . 1 1 12 12 GLU CB C 13 30.181 0.138 . 1 . . . . 12 E CB . 17833 1 121 . 1 1 12 12 GLU CG C 13 36.403 0.101 . 1 . . . . 12 E CG . 17833 1 122 . 1 1 12 12 GLU N N 15 124.889 0.111 . 1 . . . . 12 E N . 17833 1 123 . 1 1 13 13 GLY H H 1 8.479 0.005 . 1 . . . . 13 G H . 17833 1 124 . 1 1 13 13 GLY HA2 H 1 4.341 0.002 . 2 . . . . 13 G HA2 . 17833 1 125 . 1 1 13 13 GLY HA3 H 1 3.817 0.009 . 2 . . . . 13 G HA3 . 17833 1 126 . 1 1 13 13 GLY C C 13 178.141 0.000 . 1 . . . . 13 G C . 17833 1 127 . 1 1 13 13 GLY CA C 13 44.275 0.128 . 1 . . . . 13 G CA . 17833 1 128 . 1 1 13 13 GLY N N 15 108.016 0.058 . 1 . . . . 13 G N . 17833 1 129 . 1 1 14 14 PRO HA H 1 4.688 0.007 . 1 . . . . 14 P HA . 17833 1 130 . 1 1 14 14 PRO HB2 H 1 2.147 0.007 . 2 . . . . 14 P HB2 . 17833 1 131 . 1 1 14 14 PRO HB3 H 1 1.754 0.006 . 2 . . . . 14 P HB3 . 17833 1 132 . 1 1 14 14 PRO HG2 H 1 1.895 0.007 . 2 . . . . 14 P HG2 . 17833 1 133 . 1 1 14 14 PRO HG3 H 1 1.978 0.010 . 2 . . . . 14 P HG3 . 17833 1 134 . 1 1 14 14 PRO HD2 H 1 3.624 0.010 . 2 . . . . 14 P HD2 . 17833 1 135 . 1 1 14 14 PRO HD3 H 1 3.607 0.016 . 2 . . . . 14 P HD3 . 17833 1 136 . 1 1 14 14 PRO C C 13 176.194 0.006 . 1 . . . . 14 P C . 17833 1 137 . 1 1 14 14 PRO CA C 13 61.796 0.067 . 1 . . . . 14 P CA . 17833 1 138 . 1 1 14 14 PRO CB C 13 34.094 0.152 . 1 . . . . 14 P CB . 17833 1 139 . 1 1 14 14 PRO CG C 13 25.295 0.161 . 1 . . . . 14 P CG . 17833 1 140 . 1 1 14 14 PRO CD C 13 50.517 0.180 . 1 . . . . 14 P CD . 17833 1 141 . 1 1 15 15 VAL H H 1 9.380 0.007 . 1 . . . . 15 V H . 17833 1 142 . 1 1 15 15 VAL HA H 1 4.107 0.005 . 1 . . . . 15 V HA . 17833 1 143 . 1 1 15 15 VAL HB H 1 1.981 0.006 . 1 . . . . 15 V HB . 17833 1 144 . 1 1 15 15 VAL HG11 H 1 0.990 0.009 . 2 . . . . 15 V MG1 . 17833 1 145 . 1 1 15 15 VAL HG12 H 1 0.990 0.009 . 2 . . . . 15 V MG1 . 17833 1 146 . 1 1 15 15 VAL HG13 H 1 0.990 0.009 . 2 . . . . 15 V MG1 . 17833 1 147 . 1 1 15 15 VAL HG21 H 1 0.916 0.007 . 2 . . . . 15 V MG2 . 17833 1 148 . 1 1 15 15 VAL HG22 H 1 0.916 0.007 . 2 . . . . 15 V MG2 . 17833 1 149 . 1 1 15 15 VAL HG23 H 1 0.916 0.007 . 2 . . . . 15 V MG2 . 17833 1 150 . 1 1 15 15 VAL C C 13 174.272 0.005 . 1 . . . . 15 V C . 17833 1 151 . 1 1 15 15 VAL CA C 13 62.649 0.128 . 1 . . . . 15 V CA . 17833 1 152 . 1 1 15 15 VAL CB C 13 33.057 0.163 . 1 . . . . 15 V CB . 17833 1 153 . 1 1 15 15 VAL CG1 C 13 22.496 0.154 . 2 . . . . 15 V CG1 . 17833 1 154 . 1 1 15 15 VAL CG2 C 13 21.097 0.247 . 2 . . . . 15 V CG2 . 17833 1 155 . 1 1 15 15 VAL N N 15 128.238 0.041 . 1 . . . . 15 V N . 17833 1 156 . 1 1 16 16 LEU H H 1 8.451 0.002 . 1 . . . . 16 L H . 17833 1 157 . 1 1 16 16 LEU HA H 1 5.293 0.004 . 1 . . . . 16 L HA . 17833 1 158 . 1 1 16 16 LEU HB2 H 1 1.690 0.005 . 2 . . . . 16 L HB2 . 17833 1 159 . 1 1 16 16 LEU HB3 H 1 1.464 0.004 . 2 . . . . 16 L HB3 . 17833 1 160 . 1 1 16 16 LEU HG H 1 1.696 0.005 . 1 . . . . 16 L HG . 17833 1 161 . 1 1 16 16 LEU HD11 H 1 0.891 0.007 . 2 . . . . 16 L HD1 . 17833 1 162 . 1 1 16 16 LEU HD12 H 1 0.891 0.007 . 2 . . . . 16 L HD1 . 17833 1 163 . 1 1 16 16 LEU HD13 H 1 0.891 0.007 . 2 . . . . 16 L HD1 . 17833 1 164 . 1 1 16 16 LEU HD21 H 1 0.801 0.005 . 2 . . . . 16 L HD2 . 17833 1 165 . 1 1 16 16 LEU HD22 H 1 0.801 0.005 . 2 . . . . 16 L HD2 . 17833 1 166 . 1 1 16 16 LEU HD23 H 1 0.801 0.005 . 2 . . . . 16 L HD2 . 17833 1 167 . 1 1 16 16 LEU C C 13 176.975 0.000 . 1 . . . . 16 L C . 17833 1 168 . 1 1 16 16 LEU CA C 13 53.910 0.134 . 1 . . . . 16 L CA . 17833 1 169 . 1 1 16 16 LEU CB C 13 42.106 0.194 . 1 . . . . 16 L CB . 17833 1 170 . 1 1 16 16 LEU CG C 13 27.777 0.192 . 1 . . . . 16 L CG . 17833 1 171 . 1 1 16 16 LEU CD1 C 13 25.035 0.187 . 2 . . . . 16 L CD1 . 17833 1 172 . 1 1 16 16 LEU CD2 C 13 23.859 0.184 . 2 . . . . 16 L CD2 . 17833 1 173 . 1 1 16 16 LEU N N 15 128.168 0.048 . 1 . . . . 16 L N . 17833 1 174 . 1 1 17 17 ALA H H 1 8.542 0.003 . 1 . . . . 17 A H . 17833 1 175 . 1 1 17 17 ALA HA H 1 4.714 0.007 . 1 . . . . 17 A HA . 17833 1 176 . 1 1 17 17 ALA HB1 H 1 1.235 0.005 . 1 . . . . 17 A MB . 17833 1 177 . 1 1 17 17 ALA HB2 H 1 1.235 0.005 . 1 . . . . 17 A MB . 17833 1 178 . 1 1 17 17 ALA HB3 H 1 1.235 0.005 . 1 . . . . 17 A MB . 17833 1 179 . 1 1 17 17 ALA C C 13 175.281 0.002 . 1 . . . . 17 A C . 17833 1 180 . 1 1 17 17 ALA CA C 13 50.578 0.119 . 1 . . . . 17 A CA . 17833 1 181 . 1 1 17 17 ALA CB C 13 22.707 0.112 . 1 . . . . 17 A CB . 17833 1 182 . 1 1 17 17 ALA N N 15 125.626 0.044 . 1 . . . . 17 A N . 17833 1 183 . 1 1 18 18 SER H H 1 8.387 0.002 . 1 . . . . 18 S H . 17833 1 184 . 1 1 18 18 SER HA H 1 5.019 0.015 . 1 . . . . 18 S HA . 17833 1 185 . 1 1 18 18 SER HB2 H 1 3.824 0.004 . 2 . . . . 18 S HB2 . 17833 1 186 . 1 1 18 18 SER HB3 H 1 3.618 0.006 . 2 . . . . 18 S HB3 . 17833 1 187 . 1 1 18 18 SER C C 13 174.152 0.003 . 1 . . . . 18 S C . 17833 1 188 . 1 1 18 18 SER CA C 13 57.171 0.060 . 1 . . . . 18 S CA . 17833 1 189 . 1 1 18 18 SER CB C 13 64.891 0.254 . 1 . . . . 18 S CB . 17833 1 190 . 1 1 18 18 SER N N 15 116.146 0.052 . 1 . . . . 18 S N . 17833 1 191 . 1 1 19 19 LEU H H 1 8.518 0.005 . 1 . . . . 19 L H . 17833 1 192 . 1 1 19 19 LEU HA H 1 3.693 0.008 . 1 . . . . 19 L HA . 17833 1 193 . 1 1 19 19 LEU HB2 H 1 1.558 0.006 . 2 . . . . 19 L HB2 . 17833 1 194 . 1 1 19 19 LEU HB3 H 1 1.558 0.006 . 2 . . . . 19 L HB3 . 17833 1 195 . 1 1 19 19 LEU HG H 1 1.613 0.007 . 1 . . . . 19 L HG . 17833 1 196 . 1 1 19 19 LEU HD11 H 1 0.957 0.006 . 2 . . . . 19 L HD1 . 17833 1 197 . 1 1 19 19 LEU HD12 H 1 0.957 0.006 . 2 . . . . 19 L HD1 . 17833 1 198 . 1 1 19 19 LEU HD13 H 1 0.957 0.006 . 2 . . . . 19 L HD1 . 17833 1 199 . 1 1 19 19 LEU HD21 H 1 0.864 0.010 . 2 . . . . 19 L HD2 . 17833 1 200 . 1 1 19 19 LEU HD22 H 1 0.864 0.010 . 2 . . . . 19 L HD2 . 17833 1 201 . 1 1 19 19 LEU HD23 H 1 0.864 0.010 . 2 . . . . 19 L HD2 . 17833 1 202 . 1 1 19 19 LEU C C 13 178.516 0.006 . 1 . . . . 19 L C . 17833 1 203 . 1 1 19 19 LEU CA C 13 57.008 0.104 . 1 . . . . 19 L CA . 17833 1 204 . 1 1 19 19 LEU CB C 13 42.157 0.162 . 1 . . . . 19 L CB . 17833 1 205 . 1 1 19 19 LEU CG C 13 26.867 0.198 . 1 . . . . 19 L CG . 17833 1 206 . 1 1 19 19 LEU CD1 C 13 25.180 0.292 . 2 . . . . 19 L CD1 . 17833 1 207 . 1 1 19 19 LEU CD2 C 13 25.077 0.158 . 2 . . . . 19 L CD2 . 17833 1 208 . 1 1 19 19 LEU N N 15 124.665 0.050 . 1 . . . . 19 L N . 17833 1 209 . 1 1 20 20 GLY H H 1 9.215 0.004 . 1 . . . . 20 G H . 17833 1 210 . 1 1 20 20 GLY HA2 H 1 4.267 0.003 . 2 . . . . 20 G HA2 . 17833 1 211 . 1 1 20 20 GLY HA3 H 1 3.899 0.007 . 2 . . . . 20 G HA3 . 17833 1 212 . 1 1 20 20 GLY C C 13 174.719 0.019 . 1 . . . . 20 G C . 17833 1 213 . 1 1 20 20 GLY CA C 13 45.403 0.123 . 1 . . . . 20 G CA . 17833 1 214 . 1 1 20 20 GLY N N 15 115.680 0.038 . 1 . . . . 20 G N . 17833 1 215 . 1 1 21 21 GLY H H 1 8.304 0.005 . 1 . . . . 21 G H . 17833 1 216 . 1 1 21 21 GLY HA2 H 1 4.420 0.004 . 2 . . . . 21 G HA2 . 17833 1 217 . 1 1 21 21 GLY HA3 H 1 3.733 0.003 . 2 . . . . 21 G HA3 . 17833 1 218 . 1 1 21 21 GLY C C 13 171.409 0.000 . 1 . . . . 21 G C . 17833 1 219 . 1 1 21 21 GLY CA C 13 44.012 0.112 . 1 . . . . 21 G CA . 17833 1 220 . 1 1 21 21 GLY N N 15 109.827 0.065 . 1 . . . . 21 G N . 17833 1 221 . 1 1 22 22 ASN H H 1 8.390 0.003 . 1 . . . . 22 N H . 17833 1 222 . 1 1 22 22 ASN HA H 1 5.645 0.005 . 1 . . . . 22 N HA . 17833 1 223 . 1 1 22 22 ASN HB2 H 1 2.661 0.003 . 2 . . . . 22 N HB2 . 17833 1 224 . 1 1 22 22 ASN HB3 H 1 2.383 0.005 . 2 . . . . 22 N HB3 . 17833 1 225 . 1 1 22 22 ASN C C 13 174.815 0.008 . 1 . . . . 22 N C . 17833 1 226 . 1 1 22 22 ASN CA C 13 51.313 0.119 . 1 . . . . 22 N CA . 17833 1 227 . 1 1 22 22 ASN CB C 13 40.066 0.186 . 1 . . . . 22 N CB . 17833 1 228 . 1 1 22 22 ASN N N 15 115.634 0.039 . 1 . . . . 22 N N . 17833 1 229 . 1 1 23 23 LEU H H 1 8.910 0.002 . 1 . . . . 23 L H . 17833 1 230 . 1 1 23 23 LEU HA H 1 4.532 0.009 . 1 . . . . 23 L HA . 17833 1 231 . 1 1 23 23 LEU HB2 H 1 1.249 0.150 . 2 . . . . 23 L HB2 . 17833 1 232 . 1 1 23 23 LEU HB3 H 1 1.104 0.017 . 2 . . . . 23 L HB3 . 17833 1 233 . 1 1 23 23 LEU HD11 H 1 0.663 0.005 . 2 . . . . 23 L HD1 . 17833 1 234 . 1 1 23 23 LEU HD12 H 1 0.663 0.005 . 2 . . . . 23 L HD1 . 17833 1 235 . 1 1 23 23 LEU HD13 H 1 0.663 0.005 . 2 . . . . 23 L HD1 . 17833 1 236 . 1 1 23 23 LEU HD21 H 1 0.517 0.008 . 2 . . . . 23 L HD2 . 17833 1 237 . 1 1 23 23 LEU HD22 H 1 0.517 0.008 . 2 . . . . 23 L HD2 . 17833 1 238 . 1 1 23 23 LEU HD23 H 1 0.517 0.008 . 2 . . . . 23 L HD2 . 17833 1 239 . 1 1 23 23 LEU C C 13 174.204 0.005 . 1 . . . . 23 L C . 17833 1 240 . 1 1 23 23 LEU CA C 13 53.560 0.129 . 1 . . . . 23 L CA . 17833 1 241 . 1 1 23 23 LEU CB C 13 46.604 0.175 . 1 . . . . 23 L CB . 17833 1 242 . 1 1 23 23 LEU CD1 C 13 24.106 0.161 . 2 . . . . 23 L CD1 . 17833 1 243 . 1 1 23 23 LEU CD2 C 13 26.841 0.195 . 2 . . . . 23 L CD2 . 17833 1 244 . 1 1 23 23 LEU N N 15 124.244 0.049 . 1 . . . . 23 L N . 17833 1 245 . 1 1 24 24 GLU H H 1 8.160 0.005 . 1 . . . . 24 E H . 17833 1 246 . 1 1 24 24 GLU HA H 1 5.182 0.006 . 1 . . . . 24 E HA . 17833 1 247 . 1 1 24 24 GLU HB2 H 1 1.725 0.007 . 2 . . . . 24 E HB2 . 17833 1 248 . 1 1 24 24 GLU HB3 H 1 1.565 0.008 . 2 . . . . 24 E HB3 . 17833 1 249 . 1 1 24 24 GLU HG2 H 1 2.052 0.008 . 2 . . . . 24 E HG2 . 17833 1 250 . 1 1 24 24 GLU HG3 H 1 1.802 0.010 . 2 . . . . 24 E HG3 . 17833 1 251 . 1 1 24 24 GLU C C 13 174.817 0.001 . 1 . . . . 24 E C . 17833 1 252 . 1 1 24 24 GLU CA C 13 54.680 0.120 . 1 . . . . 24 E CA . 17833 1 253 . 1 1 24 24 GLU CB C 13 32.012 0.172 . 1 . . . . 24 E CB . 17833 1 254 . 1 1 24 24 GLU CG C 13 37.136 0.266 . 1 . . . . 24 E CG . 17833 1 255 . 1 1 24 24 GLU N N 15 123.928 0.048 . 1 . . . . 24 E N . 17833 1 256 . 1 1 25 25 LEU H H 1 8.724 0.003 . 1 . . . . 25 L H . 17833 1 257 . 1 1 25 25 LEU C C 13 174.922 0.046 . 1 . . . . 25 L C . 17833 1 258 . 1 1 25 25 LEU CA C 13 53.058 0.070 . 1 . . . . 25 L CA . 17833 1 259 . 1 1 25 25 LEU CB C 13 46.764 0.137 . 1 . . . . 25 L CB . 17833 1 260 . 1 1 25 25 LEU N N 15 122.855 0.044 . 1 . . . . 25 L N . 17833 1 261 . 1 1 26 26 SER H H 1 7.880 0.006 . 1 . . . . 26 S H . 17833 1 262 . 1 1 26 26 SER HA H 1 5.729 0.006 . 1 . . . . 26 S HA . 17833 1 263 . 1 1 26 26 SER HB2 H 1 3.820 0.006 . 2 . . . . 26 S HB2 . 17833 1 264 . 1 1 26 26 SER HB3 H 1 3.695 0.007 . 2 . . . . 26 S HB3 . 17833 1 265 . 1 1 26 26 SER C C 13 173.745 0.007 . 1 . . . . 26 S C . 17833 1 266 . 1 1 26 26 SER CA C 13 57.254 0.143 . 1 . . . . 26 S CA . 17833 1 267 . 1 1 26 26 SER CB C 13 65.942 0.203 . 1 . . . . 26 S CB . 17833 1 268 . 1 1 26 26 SER N N 15 114.270 0.077 . 1 . . . . 26 S N . 17833 1 269 . 1 1 27 27 CYS H H 1 8.752 0.003 . 1 . . . . 27 C H . 17833 1 270 . 1 1 27 27 CYS HA H 1 5.270 0.011 . 1 . . . . 27 C HA . 17833 1 271 . 1 1 27 27 CYS HB2 H 1 3.075 0.007 . 2 . . . . 27 C HB2 . 17833 1 272 . 1 1 27 27 CYS HB3 H 1 3.078 0.009 . 2 . . . . 27 C HB3 . 17833 1 273 . 1 1 27 27 CYS C C 13 172.439 0.019 . 1 . . . . 27 C C . 17833 1 274 . 1 1 27 27 CYS CA C 13 55.149 0.117 . 1 . . . . 27 C CA . 17833 1 275 . 1 1 27 27 CYS CB C 13 50.611 0.167 . 1 . . . . 27 C CB . 17833 1 276 . 1 1 27 27 CYS N N 15 120.011 0.040 . 1 . . . . 27 C N . 17833 1 277 . 1 1 28 28 GLN H H 1 8.917 0.008 . 1 . . . . 28 Q H . 17833 1 278 . 1 1 28 28 GLN HA H 1 5.560 0.009 . 1 . . . . 28 Q HA . 17833 1 279 . 1 1 28 28 GLN HB2 H 1 1.998 0.013 . 2 . . . . 28 Q HB2 . 17833 1 280 . 1 1 28 28 GLN HB3 H 1 1.897 0.007 . 2 . . . . 28 Q HB3 . 17833 1 281 . 1 1 28 28 GLN HG2 H 1 2.161 0.005 . 2 . . . . 28 Q HG2 . 17833 1 282 . 1 1 28 28 GLN HG3 H 1 1.979 0.006 . 2 . . . . 28 Q HG3 . 17833 1 283 . 1 1 28 28 GLN C C 13 174.037 0.003 . 1 . . . . 28 Q C . 17833 1 284 . 1 1 28 28 GLN CA C 13 53.649 0.100 . 1 . . . . 28 Q CA . 17833 1 285 . 1 1 28 28 GLN CB C 13 31.930 0.225 . 1 . . . . 28 Q CB . 17833 1 286 . 1 1 28 28 GLN CG C 13 32.974 0.175 . 1 . . . . 28 Q CG . 17833 1 287 . 1 1 28 28 GLN N N 15 117.609 0.035 . 1 . . . . 28 Q N . 17833 1 288 . 1 1 29 29 LEU H H 1 8.013 0.006 . 1 . . . . 29 L H . 17833 1 289 . 1 1 29 29 LEU HA H 1 4.388 0.011 . 1 . . . . 29 L HA . 17833 1 290 . 1 1 29 29 LEU HB2 H 1 1.440 0.007 . 2 . . . . 29 L HB2 . 17833 1 291 . 1 1 29 29 LEU HB3 H 1 0.909 0.006 . 2 . . . . 29 L HB3 . 17833 1 292 . 1 1 29 29 LEU HG H 1 1.067 0.007 . 1 . . . . 29 L HG . 17833 1 293 . 1 1 29 29 LEU HD11 H 1 -0.594 0.007 . 2 . . . . 29 L HD1 . 17833 1 294 . 1 1 29 29 LEU HD12 H 1 -0.594 0.007 . 2 . . . . 29 L HD1 . 17833 1 295 . 1 1 29 29 LEU HD13 H 1 -0.594 0.007 . 2 . . . . 29 L HD1 . 17833 1 296 . 1 1 29 29 LEU HD21 H 1 0.179 0.005 . 2 . . . . 29 L HD2 . 17833 1 297 . 1 1 29 29 LEU HD22 H 1 0.179 0.005 . 2 . . . . 29 L HD2 . 17833 1 298 . 1 1 29 29 LEU HD23 H 1 0.179 0.005 . 2 . . . . 29 L HD2 . 17833 1 299 . 1 1 29 29 LEU C C 13 177.793 0.009 . 1 . . . . 29 L C . 17833 1 300 . 1 1 29 29 LEU CA C 13 54.621 0.153 . 1 . . . . 29 L CA . 17833 1 301 . 1 1 29 29 LEU CB C 13 44.537 0.179 . 1 . . . . 29 L CB . 17833 1 302 . 1 1 29 29 LEU CG C 13 25.523 0.188 . 1 . . . . 29 L CG . 17833 1 303 . 1 1 29 29 LEU CD1 C 13 23.008 0.189 . 2 . . . . 29 L CD1 . 17833 1 304 . 1 1 29 29 LEU CD2 C 13 26.250 0.150 . 2 . . . . 29 L CD2 . 17833 1 305 . 1 1 29 29 LEU N N 15 122.252 0.081 . 1 . . . . 29 L N . 17833 1 306 . 1 1 30 30 SER H H 1 8.525 0.004 . 1 . . . . 30 S H . 17833 1 307 . 1 1 30 30 SER HA H 1 4.485 0.005 . 1 . . . . 30 S HA . 17833 1 308 . 1 1 30 30 SER HB2 H 1 3.625 0.005 . 2 . . . . 30 S HB2 . 17833 1 309 . 1 1 30 30 SER HB3 H 1 3.487 0.005 . 2 . . . . 30 S HB3 . 17833 1 310 . 1 1 30 30 SER C C 13 173.157 0.000 . 1 . . . . 30 S C . 17833 1 311 . 1 1 30 30 SER CA C 13 54.859 0.166 . 1 . . . . 30 S CA . 17833 1 312 . 1 1 30 30 SER CB C 13 64.722 0.146 . 1 . . . . 30 S CB . 17833 1 313 . 1 1 30 30 SER N N 15 114.995 0.050 . 1 . . . . 30 S N . 17833 1 314 . 1 1 31 31 PRO HA H 1 4.116 0.001 . 1 . . . . 31 P HA . 17833 1 315 . 1 1 31 31 PRO HB2 H 1 2.333 0.005 . 2 . . . . 31 P HB2 . 17833 1 316 . 1 1 31 31 PRO HB3 H 1 2.050 0.007 . 2 . . . . 31 P HB3 . 17833 1 317 . 1 1 31 31 PRO HG2 H 1 1.993 0.003 . 2 . . . . 31 P HG2 . 17833 1 318 . 1 1 31 31 PRO HG3 H 1 1.993 0.005 . 2 . . . . 31 P HG3 . 17833 1 319 . 1 1 31 31 PRO HD2 H 1 3.410 0.004 . 2 . . . . 31 P HD2 . 17833 1 320 . 1 1 31 31 PRO HD3 H 1 3.324 0.001 . 2 . . . . 31 P HD3 . 17833 1 321 . 1 1 31 31 PRO CA C 13 64.105 0.059 . 1 . . . . 31 P CA . 17833 1 322 . 1 1 31 31 PRO CB C 13 31.709 0.027 . 1 . . . . 31 P CB . 17833 1 323 . 1 1 31 31 PRO CG C 13 26.456 0.038 . 1 . . . . 31 P CG . 17833 1 324 . 1 1 31 31 PRO CD C 13 48.945 0.045 . 1 . . . . 31 P CD . 17833 1 325 . 1 1 32 32 PRO HA H 1 4.066 0.007 . 1 . . . . 32 P HA . 17833 1 326 . 1 1 32 32 PRO HB2 H 1 2.483 0.011 . 2 . . . . 32 P HB2 . 17833 1 327 . 1 1 32 32 PRO HB3 H 1 1.952 0.009 . 2 . . . . 32 P HB3 . 17833 1 328 . 1 1 32 32 PRO HG2 H 1 2.067 0.011 . 2 . . . . 32 P HG2 . 17833 1 329 . 1 1 32 32 PRO HG3 H 1 2.137 0.007 . 2 . . . . 32 P HG3 . 17833 1 330 . 1 1 32 32 PRO HD2 H 1 3.881 0.007 . 2 . . . . 32 P HD2 . 17833 1 331 . 1 1 32 32 PRO HD3 H 1 3.645 0.007 . 2 . . . . 32 P HD3 . 17833 1 332 . 1 1 32 32 PRO C C 13 176.211 0.004 . 1 . . . . 32 P C . 17833 1 333 . 1 1 32 32 PRO CA C 13 64.321 0.126 . 1 . . . . 32 P CA . 17833 1 334 . 1 1 32 32 PRO CB C 13 32.196 0.149 . 1 . . . . 32 P CB . 17833 1 335 . 1 1 32 32 PRO CG C 13 27.879 0.234 . 1 . . . . 32 P CG . 17833 1 336 . 1 1 32 32 PRO CD C 13 50.603 0.141 . 1 . . . . 32 P CD . 17833 1 337 . 1 1 33 33 GLN H H 1 6.800 0.004 . 1 . . . . 33 Q H . 17833 1 338 . 1 1 33 33 GLN HA H 1 4.561 0.012 . 1 . . . . 33 Q HA . 17833 1 339 . 1 1 33 33 GLN HB2 H 1 2.188 0.019 . 2 . . . . 33 Q HB2 . 17833 1 340 . 1 1 33 33 GLN HB3 H 1 2.197 0.010 . 2 . . . . 33 Q HB3 . 17833 1 341 . 1 1 33 33 GLN HG2 H 1 2.083 0.011 . 2 . . . . 33 Q HG2 . 17833 1 342 . 1 1 33 33 GLN HG3 H 1 2.264 0.006 . 2 . . . . 33 Q HG3 . 17833 1 343 . 1 1 33 33 GLN C C 13 172.169 0.001 . 1 . . . . 33 Q C . 17833 1 344 . 1 1 33 33 GLN CA C 13 54.158 0.140 . 1 . . . . 33 Q CA . 17833 1 345 . 1 1 33 33 GLN CB C 13 31.789 0.028 . 1 . . . . 33 Q CB . 17833 1 346 . 1 1 33 33 GLN CG C 13 33.332 0.000 . 1 . . . . 33 Q CG . 17833 1 347 . 1 1 33 33 GLN N N 15 115.404 0.053 . 1 . . . . 33 Q N . 17833 1 348 . 1 1 34 34 GLN H H 1 8.276 0.002 . 1 . . . . 34 Q H . 17833 1 349 . 1 1 34 34 GLN HA H 1 4.093 0.005 . 1 . . . . 34 Q HA . 17833 1 350 . 1 1 34 34 GLN HB2 H 1 2.319 0.011 . 2 . . . . 34 Q HB2 . 17833 1 351 . 1 1 34 34 GLN HB3 H 1 2.189 0.011 . 2 . . . . 34 Q HB3 . 17833 1 352 . 1 1 34 34 GLN HG2 H 1 2.761 0.006 . 2 . . . . 34 Q HG2 . 17833 1 353 . 1 1 34 34 GLN HG3 H 1 2.487 0.008 . 2 . . . . 34 Q HG3 . 17833 1 354 . 1 1 34 34 GLN C C 13 177.214 0.003 . 1 . . . . 34 Q C . 17833 1 355 . 1 1 34 34 GLN CA C 13 57.420 0.110 . 1 . . . . 34 Q CA . 17833 1 356 . 1 1 34 34 GLN CB C 13 30.289 0.108 . 1 . . . . 34 Q CB . 17833 1 357 . 1 1 34 34 GLN CG C 13 34.629 0.129 . 1 . . . . 34 Q CG . 17833 1 358 . 1 1 34 34 GLN N N 15 117.706 0.069 . 1 . . . . 34 Q N . 17833 1 359 . 1 1 35 35 ALA H H 1 7.934 0.002 . 1 . . . . 35 A H . 17833 1 360 . 1 1 35 35 ALA HA H 1 4.819 0.009 . 1 . . . . 35 A HA . 17833 1 361 . 1 1 35 35 ALA HB1 H 1 1.526 0.004 . 1 . . . . 35 A MB . 17833 1 362 . 1 1 35 35 ALA HB2 H 1 1.526 0.004 . 1 . . . . 35 A MB . 17833 1 363 . 1 1 35 35 ALA HB3 H 1 1.526 0.004 . 1 . . . . 35 A MB . 17833 1 364 . 1 1 35 35 ALA C C 13 178.364 0.003 . 1 . . . . 35 A C . 17833 1 365 . 1 1 35 35 ALA CA C 13 51.042 0.088 . 1 . . . . 35 A CA . 17833 1 366 . 1 1 35 35 ALA CB C 13 21.096 0.072 . 1 . . . . 35 A CB . 17833 1 367 . 1 1 35 35 ALA N N 15 123.945 0.062 . 1 . . . . 35 A N . 17833 1 368 . 1 1 36 36 GLN H H 1 9.649 0.016 . 1 . . . . 36 Q H . 17833 1 369 . 1 1 36 36 GLN C C 13 177.562 0.000 . 1 . . . . 36 Q C . 17833 1 370 . 1 1 36 36 GLN CA C 13 59.440 0.045 . 1 . . . . 36 Q CA . 17833 1 371 . 1 1 36 36 GLN CB C 13 27.827 0.000 . 1 . . . . 36 Q CB . 17833 1 372 . 1 1 36 36 GLN N N 15 119.964 0.073 . 1 . . . . 36 Q N . 17833 1 373 . 1 1 37 37 HIS HA H 1 4.958 0.033 . 1 . . . . 37 H HA . 17833 1 374 . 1 1 37 37 HIS HB2 H 1 3.265 0.017 . 2 . . . . 37 H HB2 . 17833 1 375 . 1 1 37 37 HIS HB3 H 1 3.030 0.044 . 2 . . . . 37 H HB3 . 17833 1 376 . 1 1 37 37 HIS C C 13 175.476 0.005 . 1 . . . . 37 H C . 17833 1 377 . 1 1 37 37 HIS CA C 13 56.559 0.109 . 1 . . . . 37 H CA . 17833 1 378 . 1 1 37 37 HIS CB C 13 30.203 0.105 . 1 . . . . 37 H CB . 17833 1 379 . 1 1 38 38 MET H H 1 7.480 0.005 . 1 . . . . 38 M H . 17833 1 380 . 1 1 38 38 MET C C 13 174.450 0.004 . 1 . . . . 38 M C . 17833 1 381 . 1 1 38 38 MET CA C 13 57.412 0.055 . 1 . . . . 38 M CA . 17833 1 382 . 1 1 38 38 MET CB C 13 32.614 0.022 . 1 . . . . 38 M CB . 17833 1 383 . 1 1 38 38 MET N N 15 121.591 0.123 . 1 . . . . 38 M N . 17833 1 384 . 1 1 39 39 GLU H H 1 8.535 0.002 . 1 . . . . 39 E H . 17833 1 385 . 1 1 39 39 GLU HA H 1 5.324 0.006 . 1 . . . . 39 E HA . 17833 1 386 . 1 1 39 39 GLU HB2 H 1 2.088 0.004 . 2 . . . . 39 E HB2 . 17833 1 387 . 1 1 39 39 GLU HB3 H 1 2.164 0.005 . 2 . . . . 39 E HB3 . 17833 1 388 . 1 1 39 39 GLU HG2 H 1 1.975 0.007 . 2 . . . . 39 E HG2 . 17833 1 389 . 1 1 39 39 GLU HG3 H 1 2.358 0.006 . 2 . . . . 39 E HG3 . 17833 1 390 . 1 1 39 39 GLU C C 13 175.327 0.003 . 1 . . . . 39 E C . 17833 1 391 . 1 1 39 39 GLU CA C 13 54.909 0.122 . 1 . . . . 39 E CA . 17833 1 392 . 1 1 39 39 GLU CB C 13 31.962 0.141 . 1 . . . . 39 E CB . 17833 1 393 . 1 1 39 39 GLU CG C 13 37.979 0.201 . 1 . . . . 39 E CG . 17833 1 394 . 1 1 39 39 GLU N N 15 120.168 0.054 . 1 . . . . 39 E N . 17833 1 395 . 1 1 40 40 ILE H H 1 9.391 0.002 . 1 . . . . 40 I H . 17833 1 396 . 1 1 40 40 ILE HA H 1 4.955 0.006 . 1 . . . . 40 I HA . 17833 1 397 . 1 1 40 40 ILE HB H 1 1.477 0.004 . 1 . . . . 40 I HB . 17833 1 398 . 1 1 40 40 ILE HG12 H 1 0.364 0.004 . 2 . . . . 40 I HG12 . 17833 1 399 . 1 1 40 40 ILE HG13 H 1 0.364 0.003 . 2 . . . . 40 I HG13 . 17833 1 400 . 1 1 40 40 ILE HG21 H 1 0.071 0.005 . 2 . . . . 40 I HG2 . 17833 1 401 . 1 1 40 40 ILE HG22 H 1 0.071 0.005 . 2 . . . . 40 I HG2 . 17833 1 402 . 1 1 40 40 ILE HG23 H 1 0.071 0.005 . 2 . . . . 40 I HG2 . 17833 1 403 . 1 1 40 40 ILE HD11 H 1 0.177 0.005 . 2 . . . . 40 I HD1 . 17833 1 404 . 1 1 40 40 ILE HD12 H 1 0.177 0.005 . 2 . . . . 40 I HD1 . 17833 1 405 . 1 1 40 40 ILE HD13 H 1 0.177 0.005 . 2 . . . . 40 I HD1 . 17833 1 406 . 1 1 40 40 ILE C C 13 174.822 0.001 . 1 . . . . 40 I C . 17833 1 407 . 1 1 40 40 ILE CA C 13 60.119 0.110 . 1 . . . . 40 I CA . 17833 1 408 . 1 1 40 40 ILE CB C 13 40.679 0.175 . 1 . . . . 40 I CB . 17833 1 409 . 1 1 40 40 ILE CG1 C 13 26.228 0.135 . 1 . . . . 40 I CG1 . 17833 1 410 . 1 1 40 40 ILE CG2 C 13 15.902 0.139 . 1 . . . . 40 I CG2 . 17833 1 411 . 1 1 40 40 ILE CD1 C 13 14.749 0.157 . 1 . . . . 40 I CD1 . 17833 1 412 . 1 1 40 40 ILE N N 15 127.702 0.058 . 1 . . . . 40 I N . 17833 1 413 . 1 1 41 41 ARG H H 1 9.164 0.003 . 1 . . . . 41 R H . 17833 1 414 . 1 1 41 41 ARG HA H 1 5.243 0.007 . 1 . . . . 41 R HA . 17833 1 415 . 1 1 41 41 ARG HB2 H 1 1.628 0.009 . 2 . . . . 41 R HB2 . 17833 1 416 . 1 1 41 41 ARG HB3 H 1 1.766 0.008 . 2 . . . . 41 R HB3 . 17833 1 417 . 1 1 41 41 ARG HG2 H 1 1.449 0.009 . 2 . . . . 41 R HG2 . 17833 1 418 . 1 1 41 41 ARG HG3 H 1 1.413 0.032 . 2 . . . . 41 R HG3 . 17833 1 419 . 1 1 41 41 ARG HD2 H 1 2.955 0.007 . 2 . . . . 41 R HD2 . 17833 1 420 . 1 1 41 41 ARG HD3 H 1 2.955 0.006 . 2 . . . . 41 R HD3 . 17833 1 421 . 1 1 41 41 ARG C C 13 173.751 0.008 . 1 . . . . 41 R C . 17833 1 422 . 1 1 41 41 ARG CA C 13 54.262 0.088 . 1 . . . . 41 R CA . 17833 1 423 . 1 1 41 41 ARG CB C 13 36.036 0.112 . 1 . . . . 41 R CB . 17833 1 424 . 1 1 41 41 ARG CG C 13 28.331 0.223 . 1 . . . . 41 R CG . 17833 1 425 . 1 1 41 41 ARG CD C 13 42.914 0.216 . 1 . . . . 41 R CD . 17833 1 426 . 1 1 41 41 ARG N N 15 129.447 0.049 . 1 . . . . 41 R N . 17833 1 427 . 1 1 42 42 TRP H H 1 8.940 0.003 . 1 . . . . 42 W H . 17833 1 428 . 1 1 42 42 TRP HA H 1 6.096 0.003 . 1 . . . . 42 W HA . 17833 1 429 . 1 1 42 42 TRP HB2 H 1 2.921 0.010 . 2 . . . . 42 W HB2 . 17833 1 430 . 1 1 42 42 TRP HB3 H 1 2.924 0.012 . 2 . . . . 42 W HB3 . 17833 1 431 . 1 1 42 42 TRP C C 13 176.916 0.009 . 1 . . . . 42 W C . 17833 1 432 . 1 1 42 42 TRP CA C 13 54.551 0.118 . 1 . . . . 42 W CA . 17833 1 433 . 1 1 42 42 TRP CB C 13 31.744 0.167 . 1 . . . . 42 W CB . 17833 1 434 . 1 1 42 42 TRP N N 15 124.436 0.039 . 1 . . . . 42 W N . 17833 1 435 . 1 1 43 43 PHE H H 1 8.838 0.003 . 1 . . . . 43 F H . 17833 1 436 . 1 1 43 43 PHE HA H 1 5.131 0.008 . 1 . . . . 43 F HA . 17833 1 437 . 1 1 43 43 PHE HB2 H 1 3.089 0.005 . 2 . . . . 43 F HB2 . 17833 1 438 . 1 1 43 43 PHE HB3 H 1 2.723 0.011 . 2 . . . . 43 F HB3 . 17833 1 439 . 1 1 43 43 PHE C C 13 171.789 0.000 . 1 . . . . 43 F C . 17833 1 440 . 1 1 43 43 PHE CA C 13 56.626 0.131 . 1 . . . . 43 F CA . 17833 1 441 . 1 1 43 43 PHE CB C 13 41.320 0.169 . 1 . . . . 43 F CB . 17833 1 442 . 1 1 43 43 PHE N N 15 118.214 0.043 . 1 . . . . 43 F N . 17833 1 443 . 1 1 53 53 LEU HA H 1 5.114 0.005 . 1 . . . . 53 L HA . 17833 1 444 . 1 1 53 53 LEU HB2 H 1 1.576 0.007 . 2 . . . . 53 L HB2 . 17833 1 445 . 1 1 53 53 LEU HB3 H 1 1.112 0.006 . 2 . . . . 53 L HB3 . 17833 1 446 . 1 1 53 53 LEU HG H 1 1.244 0.004 . 1 . . . . 53 L HG . 17833 1 447 . 1 1 53 53 LEU HD11 H 1 0.862 0.006 . 2 . . . . 53 L HD1 . 17833 1 448 . 1 1 53 53 LEU HD12 H 1 0.862 0.006 . 2 . . . . 53 L HD1 . 17833 1 449 . 1 1 53 53 LEU HD13 H 1 0.862 0.006 . 2 . . . . 53 L HD1 . 17833 1 450 . 1 1 53 53 LEU HD21 H 1 0.739 0.006 . 2 . . . . 53 L HD2 . 17833 1 451 . 1 1 53 53 LEU HD22 H 1 0.739 0.006 . 2 . . . . 53 L HD2 . 17833 1 452 . 1 1 53 53 LEU HD23 H 1 0.739 0.006 . 2 . . . . 53 L HD2 . 17833 1 453 . 1 1 53 53 LEU C C 13 171.350 0.010 . 1 . . . . 53 L C . 17833 1 454 . 1 1 53 53 LEU CA C 13 54.969 0.127 . 1 . . . . 53 L CA . 17833 1 455 . 1 1 53 53 LEU CB C 13 45.971 0.163 . 1 . . . . 53 L CB . 17833 1 456 . 1 1 53 53 LEU CG C 13 27.863 0.261 . 1 . . . . 53 L CG . 17833 1 457 . 1 1 53 53 LEU CD1 C 13 24.050 0.259 . 2 . . . . 53 L CD1 . 17833 1 458 . 1 1 53 53 LEU CD2 C 13 26.153 0.154 . 2 . . . . 53 L CD2 . 17833 1 459 . 1 1 54 54 TYR H H 1 9.179 0.003 . 1 . . . . 54 Y H . 17833 1 460 . 1 1 54 54 TYR HA H 1 5.369 0.005 . 1 . . . . 54 Y HA . 17833 1 461 . 1 1 54 54 TYR HB2 H 1 3.031 0.010 . 2 . . . . 54 Y HB2 . 17833 1 462 . 1 1 54 54 TYR HB3 H 1 2.982 0.014 . 2 . . . . 54 Y HB3 . 17833 1 463 . 1 1 54 54 TYR C C 13 173.489 0.005 . 1 . . . . 54 Y C . 17833 1 464 . 1 1 54 54 TYR CA C 13 55.803 0.108 . 1 . . . . 54 Y CA . 17833 1 465 . 1 1 54 54 TYR CB C 13 42.258 0.201 . 1 . . . . 54 Y CB . 17833 1 466 . 1 1 54 54 TYR N N 15 131.200 0.073 . 1 . . . . 54 Y N . 17833 1 467 . 1 1 55 55 ARG H H 1 8.637 0.004 . 1 . . . . 55 R H . 17833 1 468 . 1 1 55 55 ARG HA H 1 4.491 0.014 . 1 . . . . 55 R HA . 17833 1 469 . 1 1 55 55 ARG HB2 H 1 1.681 0.006 . 2 . . . . 55 R HB2 . 17833 1 470 . 1 1 55 55 ARG HB3 H 1 1.609 0.007 . 2 . . . . 55 R HB3 . 17833 1 471 . 1 1 55 55 ARG HG2 H 1 1.432 0.008 . 2 . . . . 55 R HG2 . 17833 1 472 . 1 1 55 55 ARG HG3 H 1 1.494 0.005 . 2 . . . . 55 R HG3 . 17833 1 473 . 1 1 55 55 ARG HD2 H 1 3.200 0.003 . 2 . . . . 55 R HD2 . 17833 1 474 . 1 1 55 55 ARG HD3 H 1 3.199 0.003 . 2 . . . . 55 R HD3 . 17833 1 475 . 1 1 55 55 ARG C C 13 174.686 0.003 . 1 . . . . 55 R C . 17833 1 476 . 1 1 55 55 ARG CA C 13 56.085 0.111 . 1 . . . . 55 R CA . 17833 1 477 . 1 1 55 55 ARG CB C 13 33.585 0.163 . 1 . . . . 55 R CB . 17833 1 478 . 1 1 55 55 ARG CG C 13 27.669 0.279 . 1 . . . . 55 R CG . 17833 1 479 . 1 1 55 55 ARG CD C 13 43.902 0.173 . 1 . . . . 55 R CD . 17833 1 480 . 1 1 55 55 ARG N N 15 125.928 0.058 . 1 . . . . 55 R N . 17833 1 481 . 1 1 56 56 ASP H H 1 8.730 0.019 . 1 . . . . 56 D H . 17833 1 482 . 1 1 56 56 ASP HA H 1 4.456 0.017 . 1 . . . . 56 D HA . 17833 1 483 . 1 1 56 56 ASP HB2 H 1 2.857 0.004 . 2 . . . . 56 D HB2 . 17833 1 484 . 1 1 56 56 ASP HB3 H 1 2.415 0.013 . 2 . . . . 56 D HB3 . 17833 1 485 . 1 1 56 56 ASP C C 13 175.915 0.000 . 1 . . . . 56 D C . 17833 1 486 . 1 1 56 56 ASP CA C 13 55.259 0.082 . 1 . . . . 56 D CA . 17833 1 487 . 1 1 56 56 ASP CB C 13 40.033 0.138 . 1 . . . . 56 D CB . 17833 1 488 . 1 1 56 56 ASP N N 15 125.820 0.049 . 1 . . . . 56 D N . 17833 1 489 . 1 1 57 57 GLY HA2 H 1 4.123 0.015 . 2 . . . . 57 G HA2 . 17833 1 490 . 1 1 57 57 GLY HA3 H 1 3.780 0.004 . 2 . . . . 57 G HA3 . 17833 1 491 . 1 1 57 57 GLY C C 13 174.120 0.000 . 1 . . . . 57 G C . 17833 1 492 . 1 1 57 57 GLY CA C 13 45.282 0.120 . 1 . . . . 57 G CA . 17833 1 493 . 1 1 58 58 LYS H H 1 7.337 0.005 . 1 . . . . 58 K H . 17833 1 494 . 1 1 58 58 LYS HA H 1 4.699 0.007 . 1 . . . . 58 K HA . 17833 1 495 . 1 1 58 58 LYS HB2 H 1 1.698 0.007 . 2 . . . . 58 K HB2 . 17833 1 496 . 1 1 58 58 LYS HB3 H 1 1.697 0.009 . 2 . . . . 58 K HB3 . 17833 1 497 . 1 1 58 58 LYS HG2 H 1 1.361 0.006 . 2 . . . . 58 K HG2 . 17833 1 498 . 1 1 58 58 LYS HG3 H 1 1.362 0.009 . 2 . . . . 58 K HG3 . 17833 1 499 . 1 1 58 58 LYS HD2 H 1 1.701 0.009 . 2 . . . . 58 K HD2 . 17833 1 500 . 1 1 58 58 LYS HD3 H 1 1.702 0.009 . 2 . . . . 58 K HD3 . 17833 1 501 . 1 1 58 58 LYS HE2 H 1 3.043 0.009 . 2 . . . . 58 K HE2 . 17833 1 502 . 1 1 58 58 LYS HE3 H 1 3.051 0.053 . 2 . . . . 58 K HE3 . 17833 1 503 . 1 1 58 58 LYS C C 13 174.426 0.003 . 1 . . . . 58 K C . 17833 1 504 . 1 1 58 58 LYS CA C 13 54.575 0.083 . 1 . . . . 58 K CA . 17833 1 505 . 1 1 58 58 LYS CB C 13 35.939 0.103 . 1 . . . . 58 K CB . 17833 1 506 . 1 1 58 58 LYS CG C 13 24.014 0.099 . 1 . . . . 58 K CG . 17833 1 507 . 1 1 58 58 LYS CD C 13 29.076 0.156 . 1 . . . . 58 K CD . 17833 1 508 . 1 1 58 58 LYS CE C 13 42.139 0.048 . 1 . . . . 58 K CE . 17833 1 509 . 1 1 58 58 LYS N N 15 119.797 0.042 . 1 . . . . 58 K N . 17833 1 510 . 1 1 59 59 ASP H H 1 8.469 0.003 . 1 . . . . 59 D H . 17833 1 511 . 1 1 59 59 ASP HA H 1 4.879 0.004 . 1 . . . . 59 D HA . 17833 1 512 . 1 1 59 59 ASP HB2 H 1 2.486 0.007 . 2 . . . . 59 D HB2 . 17833 1 513 . 1 1 59 59 ASP HB3 H 1 1.808 0.010 . 2 . . . . 59 D HB3 . 17833 1 514 . 1 1 59 59 ASP C C 13 176.112 0.009 . 1 . . . . 59 D C . 17833 1 515 . 1 1 59 59 ASP CA C 13 54.844 0.104 . 1 . . . . 59 D CA . 17833 1 516 . 1 1 59 59 ASP CB C 13 42.131 0.187 . 1 . . . . 59 D CB . 17833 1 517 . 1 1 59 59 ASP N N 15 121.890 0.101 . 1 . . . . 59 D N . 17833 1 518 . 1 1 60 60 MET H H 1 8.658 0.006 . 1 . . . . 60 M H . 17833 1 519 . 1 1 60 60 MET C C 13 176.709 0.006 . 1 . . . . 60 M C . 17833 1 520 . 1 1 60 60 MET CA C 13 52.364 0.029 . 1 . . . . 60 M CA . 17833 1 521 . 1 1 60 60 MET CB C 13 29.617 0.051 . 1 . . . . 60 M CB . 17833 1 522 . 1 1 60 60 MET N N 15 125.112 0.055 . 1 . . . . 60 M N . 17833 1 523 . 1 1 61 61 PHE H H 1 7.621 0.003 . 1 . . . . 61 F H . 17833 1 524 . 1 1 61 61 PHE HA H 1 4.239 0.005 . 1 . . . . 61 F HA . 17833 1 525 . 1 1 61 61 PHE HB2 H 1 2.893 0.006 . 2 . . . . 61 F HB2 . 17833 1 526 . 1 1 61 61 PHE HB3 H 1 3.332 0.007 . 2 . . . . 61 F HB3 . 17833 1 527 . 1 1 61 61 PHE C C 13 177.771 0.000 . 1 . . . . 61 F C . 17833 1 528 . 1 1 61 61 PHE CA C 13 60.996 0.101 . 1 . . . . 61 F CA . 17833 1 529 . 1 1 61 61 PHE CB C 13 39.289 0.162 . 1 . . . . 61 F CB . 17833 1 530 . 1 1 61 61 PHE N N 15 119.670 0.053 . 1 . . . . 61 F N . 17833 1 531 . 1 1 62 62 GLY H H 1 8.961 0.005 . 1 . . . . 62 G H . 17833 1 532 . 1 1 62 62 GLY HA2 H 1 4.070 0.008 . 2 . . . . 62 G HA2 . 17833 1 533 . 1 1 62 62 GLY HA3 H 1 3.863 0.007 . 2 . . . . 62 G HA3 . 17833 1 534 . 1 1 62 62 GLY C C 13 174.746 0.013 . 1 . . . . 62 G C . 17833 1 535 . 1 1 62 62 GLY CA C 13 46.246 0.125 . 1 . . . . 62 G CA . 17833 1 536 . 1 1 62 62 GLY N N 15 106.550 0.018 . 1 . . . . 62 G N . 17833 1 537 . 1 1 63 63 GLU H H 1 7.647 0.006 . 1 . . . . 63 E H . 17833 1 538 . 1 1 63 63 GLU HA H 1 4.386 0.006 . 1 . . . . 63 E HA . 17833 1 539 . 1 1 63 63 GLU HB2 H 1 2.256 0.007 . 2 . . . . 63 E HB2 . 17833 1 540 . 1 1 63 63 GLU HB3 H 1 1.706 0.006 . 2 . . . . 63 E HB3 . 17833 1 541 . 1 1 63 63 GLU HG2 H 1 2.103 0.004 . 2 . . . . 63 E HG2 . 17833 1 542 . 1 1 63 63 GLU HG3 H 1 2.103 0.003 . 2 . . . . 63 E HG3 . 17833 1 543 . 1 1 63 63 GLU C C 13 175.623 0.005 . 1 . . . . 63 E C . 17833 1 544 . 1 1 63 63 GLU CA C 13 55.798 0.108 . 1 . . . . 63 E CA . 17833 1 545 . 1 1 63 63 GLU CB C 13 31.094 0.131 . 1 . . . . 63 E CB . 17833 1 546 . 1 1 63 63 GLU CG C 13 36.784 0.164 . 1 . . . . 63 E CG . 17833 1 547 . 1 1 63 63 GLU N N 15 117.433 0.047 . 1 . . . . 63 E N . 17833 1 548 . 1 1 64 64 ILE H H 1 6.983 0.006 . 1 . . . . 64 I H . 17833 1 549 . 1 1 64 64 ILE HA H 1 3.981 0.007 . 1 . . . . 64 I HA . 17833 1 550 . 1 1 64 64 ILE HB H 1 1.892 0.005 . 1 . . . . 64 I HB . 17833 1 551 . 1 1 64 64 ILE HG21 H 1 1.050 0.005 . 2 . . . . 64 I HG2 . 17833 1 552 . 1 1 64 64 ILE HG22 H 1 1.050 0.005 . 2 . . . . 64 I HG2 . 17833 1 553 . 1 1 64 64 ILE HG23 H 1 1.050 0.005 . 2 . . . . 64 I HG2 . 17833 1 554 . 1 1 64 64 ILE HD11 H 1 0.708 0.007 . 2 . . . . 64 I HD1 . 17833 1 555 . 1 1 64 64 ILE HD12 H 1 0.708 0.007 . 2 . . . . 64 I HD1 . 17833 1 556 . 1 1 64 64 ILE HD13 H 1 0.708 0.007 . 2 . . . . 64 I HD1 . 17833 1 557 . 1 1 64 64 ILE C C 13 176.241 0.004 . 1 . . . . 64 I C . 17833 1 558 . 1 1 64 64 ILE CA C 13 61.192 0.127 . 1 . . . . 64 I CA . 17833 1 559 . 1 1 64 64 ILE CB C 13 38.750 0.124 . 1 . . . . 64 I CB . 17833 1 560 . 1 1 64 64 ILE CG2 C 13 17.572 0.052 . 1 . . . . 64 I CG2 . 17833 1 561 . 1 1 64 64 ILE CD1 C 13 13.784 0.172 . 1 . . . . 64 I CD1 . 17833 1 562 . 1 1 64 64 ILE N N 15 118.681 0.077 . 1 . . . . 64 I N . 17833 1 563 . 1 1 65 65 ILE H H 1 7.777 0.004 . 1 . . . . 65 I H . 17833 1 564 . 1 1 65 65 ILE HA H 1 4.359 0.004 . 1 . . . . 65 I HA . 17833 1 565 . 1 1 65 65 ILE HB H 1 2.329 0.004 . 1 . . . . 65 I HB . 17833 1 566 . 1 1 65 65 ILE HG12 H 1 1.562 0.004 . 2 . . . . 65 I HG12 . 17833 1 567 . 1 1 65 65 ILE HG13 H 1 1.560 0.008 . 2 . . . . 65 I HG13 . 17833 1 568 . 1 1 65 65 ILE HG21 H 1 1.143 0.005 . 2 . . . . 65 I HG2 . 17833 1 569 . 1 1 65 65 ILE HG22 H 1 1.143 0.005 . 2 . . . . 65 I HG2 . 17833 1 570 . 1 1 65 65 ILE HG23 H 1 1.143 0.005 . 2 . . . . 65 I HG2 . 17833 1 571 . 1 1 65 65 ILE HD11 H 1 1.079 0.004 . 2 . . . . 65 I HD1 . 17833 1 572 . 1 1 65 65 ILE HD12 H 1 1.079 0.004 . 2 . . . . 65 I HD1 . 17833 1 573 . 1 1 65 65 ILE HD13 H 1 1.079 0.004 . 2 . . . . 65 I HD1 . 17833 1 574 . 1 1 65 65 ILE C C 13 178.218 0.000 . 1 . . . . 65 I C . 17833 1 575 . 1 1 65 65 ILE CA C 13 62.387 0.134 . 1 . . . . 65 I CA . 17833 1 576 . 1 1 65 65 ILE CB C 13 38.348 0.182 . 1 . . . . 65 I CB . 17833 1 577 . 1 1 65 65 ILE CG1 C 13 26.497 0.188 . 1 . . . . 65 I CG1 . 17833 1 578 . 1 1 65 65 ILE CG2 C 13 18.341 0.190 . 1 . . . . 65 I CG2 . 17833 1 579 . 1 1 65 65 ILE CD1 C 13 13.977 0.146 . 1 . . . . 65 I CD1 . 17833 1 580 . 1 1 65 65 ILE N N 15 120.573 0.038 . 1 . . . . 65 I N . 17833 1 581 . 1 1 66 66 SER HA H 1 4.179 0.006 . 1 . . . . 66 S HA . 17833 1 582 . 1 1 66 66 SER HB2 H 1 3.978 0.006 . 2 . . . . 66 S HB2 . 17833 1 583 . 1 1 66 66 SER HB3 H 1 3.975 0.006 . 2 . . . . 66 S HB3 . 17833 1 584 . 1 1 66 66 SER C C 13 176.531 0.000 . 1 . . . . 66 S C . 17833 1 585 . 1 1 66 66 SER CA C 13 62.149 0.116 . 1 . . . . 66 S CA . 17833 1 586 . 1 1 66 66 SER CB C 13 62.954 0.235 . 1 . . . . 66 S CB . 17833 1 587 . 1 1 67 67 LYS H H 1 7.938 0.004 . 1 . . . . 67 K H . 17833 1 588 . 1 1 67 67 LYS HA H 1 4.077 0.005 . 1 . . . . 67 K HA . 17833 1 589 . 1 1 67 67 LYS HB2 H 1 1.701 0.006 . 2 . . . . 67 K HB2 . 17833 1 590 . 1 1 67 67 LYS HB3 H 1 1.510 0.008 . 2 . . . . 67 K HB3 . 17833 1 591 . 1 1 67 67 LYS HG2 H 1 1.115 0.009 . 2 . . . . 67 K HG2 . 17833 1 592 . 1 1 67 67 LYS HG3 H 1 0.940 0.008 . 2 . . . . 67 K HG3 . 17833 1 593 . 1 1 67 67 LYS HD2 H 1 1.576 0.005 . 2 . . . . 67 K HD2 . 17833 1 594 . 1 1 67 67 LYS HD3 H 1 1.577 0.006 . 2 . . . . 67 K HD3 . 17833 1 595 . 1 1 67 67 LYS HE2 H 1 2.851 0.007 . 2 . . . . 67 K HE2 . 17833 1 596 . 1 1 67 67 LYS HE3 H 1 2.852 0.007 . 2 . . . . 67 K HE3 . 17833 1 597 . 1 1 67 67 LYS C C 13 176.344 0.005 . 1 . . . . 67 K C . 17833 1 598 . 1 1 67 67 LYS CA C 13 58.243 0.119 . 1 . . . . 67 K CA . 17833 1 599 . 1 1 67 67 LYS CB C 13 33.159 0.148 . 1 . . . . 67 K CB . 17833 1 600 . 1 1 67 67 LYS CG C 13 24.911 0.200 . 1 . . . . 67 K CG . 17833 1 601 . 1 1 67 67 LYS CD C 13 29.313 0.124 . 1 . . . . 67 K CD . 17833 1 602 . 1 1 67 67 LYS CE C 13 42.140 0.125 . 1 . . . . 67 K CE . 17833 1 603 . 1 1 67 67 LYS N N 15 118.813 0.059 . 1 . . . . 67 K N . 17833 1 604 . 1 1 68 68 TYR H H 1 8.174 0.004 . 1 . . . . 68 Y H . 17833 1 605 . 1 1 68 68 TYR HA H 1 4.510 0.006 . 1 . . . . 68 Y HA . 17833 1 606 . 1 1 68 68 TYR HB2 H 1 3.714 0.005 . 2 . . . . 68 Y HB2 . 17833 1 607 . 1 1 68 68 TYR HB3 H 1 3.715 0.005 . 2 . . . . 68 Y HB3 . 17833 1 608 . 1 1 68 68 TYR C C 13 176.334 0.000 . 1 . . . . 68 Y C . 17833 1 609 . 1 1 68 68 TYR CA C 13 60.042 0.135 . 1 . . . . 68 Y CA . 17833 1 610 . 1 1 68 68 TYR CB C 13 40.767 0.186 . 1 . . . . 68 Y CB . 17833 1 611 . 1 1 68 68 TYR N N 15 115.545 0.054 . 1 . . . . 68 Y N . 17833 1 612 . 1 1 70 70 GLU C C 13 176.882 0.000 . 1 . . . . 70 E C . 17833 1 613 . 1 1 70 70 GLU CA C 13 57.900 0.017 . 1 . . . . 70 E CA . 17833 1 614 . 1 1 71 71 ARG H H 1 7.991 0.002 . 1 . . . . 71 R H . 17833 1 615 . 1 1 71 71 ARG C C 13 174.276 0.000 . 1 . . . . 71 R C . 17833 1 616 . 1 1 71 71 ARG CA C 13 56.379 0.069 . 1 . . . . 71 R CA . 17833 1 617 . 1 1 71 71 ARG CB C 13 32.985 0.000 . 1 . . . . 71 R CB . 17833 1 618 . 1 1 71 71 ARG N N 15 115.975 0.033 . 1 . . . . 71 R N . 17833 1 619 . 1 1 72 72 THR H H 1 7.850 0.003 . 1 . . . . 72 T H . 17833 1 620 . 1 1 72 72 THR HA H 1 4.113 0.000 . 1 . . . . 72 T HA . 17833 1 621 . 1 1 72 72 THR HG21 H 1 1.481 0.006 . 2 . . . . 72 T HG2 . 17833 1 622 . 1 1 72 72 THR HG22 H 1 1.481 0.006 . 2 . . . . 72 T HG2 . 17833 1 623 . 1 1 72 72 THR HG23 H 1 1.481 0.006 . 2 . . . . 72 T HG2 . 17833 1 624 . 1 1 72 72 THR C C 13 174.567 0.009 . 1 . . . . 72 T C . 17833 1 625 . 1 1 72 72 THR CA C 13 59.501 0.020 . 1 . . . . 72 T CA . 17833 1 626 . 1 1 72 72 THR CB C 13 72.355 0.072 . 1 . . . . 72 T CB . 17833 1 627 . 1 1 72 72 THR CG2 C 13 22.862 0.000 . 1 . . . . 72 T CG2 . 17833 1 628 . 1 1 72 72 THR N N 15 108.543 0.036 . 1 . . . . 72 T N . 17833 1 629 . 1 1 73 73 GLU H H 1 8.631 0.003 . 1 . . . . 73 E H . 17833 1 630 . 1 1 73 73 GLU HA H 1 4.523 0.007 . 1 . . . . 73 E HA . 17833 1 631 . 1 1 73 73 GLU HB2 H 1 1.974 0.009 . 2 . . . . 73 E HB2 . 17833 1 632 . 1 1 73 73 GLU HB3 H 1 2.027 0.007 . 2 . . . . 73 E HB3 . 17833 1 633 . 1 1 73 73 GLU HG2 H 1 2.184 0.015 . 2 . . . . 73 E HG2 . 17833 1 634 . 1 1 73 73 GLU HG3 H 1 2.032 0.003 . 2 . . . . 73 E HG3 . 17833 1 635 . 1 1 73 73 GLU C C 13 172.590 0.001 . 1 . . . . 73 E C . 17833 1 636 . 1 1 73 73 GLU CA C 13 55.551 0.108 . 1 . . . . 73 E CA . 17833 1 637 . 1 1 73 73 GLU CB C 13 34.316 0.142 . 1 . . . . 73 E CB . 17833 1 638 . 1 1 73 73 GLU CG C 13 35.955 0.077 . 1 . . . . 73 E CG . 17833 1 639 . 1 1 73 73 GLU N N 15 119.671 0.043 . 1 . . . . 73 E N . 17833 1 640 . 1 1 74 74 LEU H H 1 8.904 0.007 . 1 . . . . 74 L H . 17833 1 641 . 1 1 74 74 LEU HA H 1 4.680 0.006 . 1 . . . . 74 L HA . 17833 1 642 . 1 1 74 74 LEU HB2 H 1 1.532 0.012 . 2 . . . . 74 L HB2 . 17833 1 643 . 1 1 74 74 LEU HB3 H 1 -0.194 0.007 . 2 . . . . 74 L HB3 . 17833 1 644 . 1 1 74 74 LEU HG H 1 0.937 0.006 . 1 . . . . 74 L HG . 17833 1 645 . 1 1 74 74 LEU HD11 H 1 0.625 0.006 . 2 . . . . 74 L HD1 . 17833 1 646 . 1 1 74 74 LEU HD12 H 1 0.625 0.006 . 2 . . . . 74 L HD1 . 17833 1 647 . 1 1 74 74 LEU HD13 H 1 0.625 0.006 . 2 . . . . 74 L HD1 . 17833 1 648 . 1 1 74 74 LEU HD21 H 1 0.560 0.006 . 2 . . . . 74 L HD2 . 17833 1 649 . 1 1 74 74 LEU HD22 H 1 0.560 0.006 . 2 . . . . 74 L HD2 . 17833 1 650 . 1 1 74 74 LEU HD23 H 1 0.560 0.006 . 2 . . . . 74 L HD2 . 17833 1 651 . 1 1 74 74 LEU C C 13 175.733 0.003 . 1 . . . . 74 L C . 17833 1 652 . 1 1 74 74 LEU CA C 13 52.621 0.125 . 1 . . . . 74 L CA . 17833 1 653 . 1 1 74 74 LEU CB C 13 43.722 0.176 . 1 . . . . 74 L CB . 17833 1 654 . 1 1 74 74 LEU CG C 13 26.956 0.244 . 1 . . . . 74 L CG . 17833 1 655 . 1 1 74 74 LEU CD1 C 13 26.080 0.151 . 2 . . . . 74 L CD1 . 17833 1 656 . 1 1 74 74 LEU CD2 C 13 24.213 0.208 . 2 . . . . 74 L CD2 . 17833 1 657 . 1 1 74 74 LEU N N 15 126.729 0.040 . 1 . . . . 74 L N . 17833 1 658 . 1 1 75 75 LEU H H 1 9.586 0.004 . 1 . . . . 75 L H . 17833 1 659 . 1 1 75 75 LEU HA H 1 4.502 0.007 . 1 . . . . 75 L HA . 17833 1 660 . 1 1 75 75 LEU HB2 H 1 1.723 0.007 . 2 . . . . 75 L HB2 . 17833 1 661 . 1 1 75 75 LEU HB3 H 1 1.791 0.008 . 2 . . . . 75 L HB3 . 17833 1 662 . 1 1 75 75 LEU HG H 1 1.518 0.006 . 1 . . . . 75 L HG . 17833 1 663 . 1 1 75 75 LEU HD11 H 1 0.742 0.006 . 2 . . . . 75 L HD1 . 17833 1 664 . 1 1 75 75 LEU HD12 H 1 0.742 0.006 . 2 . . . . 75 L HD1 . 17833 1 665 . 1 1 75 75 LEU HD13 H 1 0.742 0.006 . 2 . . . . 75 L HD1 . 17833 1 666 . 1 1 75 75 LEU HD21 H 1 0.737 0.004 . 2 . . . . 75 L HD2 . 17833 1 667 . 1 1 75 75 LEU HD22 H 1 0.737 0.004 . 2 . . . . 75 L HD2 . 17833 1 668 . 1 1 75 75 LEU HD23 H 1 0.737 0.004 . 2 . . . . 75 L HD2 . 17833 1 669 . 1 1 75 75 LEU C C 13 179.724 0.005 . 1 . . . . 75 L C . 17833 1 670 . 1 1 75 75 LEU CA C 13 55.600 0.115 . 1 . . . . 75 L CA . 17833 1 671 . 1 1 75 75 LEU CB C 13 40.636 0.170 . 1 . . . . 75 L CB . 17833 1 672 . 1 1 75 75 LEU CG C 13 27.436 0.175 . 1 . . . . 75 L CG . 17833 1 673 . 1 1 75 75 LEU CD1 C 13 23.173 0.183 . 2 . . . . 75 L CD1 . 17833 1 674 . 1 1 75 75 LEU CD2 C 13 24.532 0.174 . 2 . . . . 75 L CD2 . 17833 1 675 . 1 1 75 75 LEU N N 15 130.554 0.072 . 1 . . . . 75 L N . 17833 1 676 . 1 1 76 76 LYS H H 1 9.067 0.003 . 1 . . . . 76 K H . 17833 1 677 . 1 1 76 76 LYS HA H 1 4.353 0.011 . 1 . . . . 76 K HA . 17833 1 678 . 1 1 76 76 LYS HB2 H 1 1.656 0.013 . 2 . . . . 76 K HB2 . 17833 1 679 . 1 1 76 76 LYS HB3 H 1 2.107 0.007 . 2 . . . . 76 K HB3 . 17833 1 680 . 1 1 76 76 LYS HG2 H 1 0.852 0.013 . 2 . . . . 76 K HG2 . 17833 1 681 . 1 1 76 76 LYS HG3 H 1 1.481 0.008 . 2 . . . . 76 K HG3 . 17833 1 682 . 1 1 76 76 LYS HD2 H 1 1.610 0.049 . 2 . . . . 76 K HD2 . 17833 1 683 . 1 1 76 76 LYS HD3 H 1 1.569 0.007 . 2 . . . . 76 K HD3 . 17833 1 684 . 1 1 76 76 LYS HE2 H 1 3.213 0.007 . 2 . . . . 76 K HE2 . 17833 1 685 . 1 1 76 76 LYS HE3 H 1 2.917 0.008 . 2 . . . . 76 K HE3 . 17833 1 686 . 1 1 76 76 LYS C C 13 177.741 0.004 . 1 . . . . 76 K C . 17833 1 687 . 1 1 76 76 LYS CA C 13 56.849 0.089 . 1 . . . . 76 K CA . 17833 1 688 . 1 1 76 76 LYS CB C 13 33.265 0.141 . 1 . . . . 76 K CB . 17833 1 689 . 1 1 76 76 LYS CG C 13 24.691 0.138 . 1 . . . . 76 K CG . 17833 1 690 . 1 1 76 76 LYS CD C 13 29.237 0.240 . 1 . . . . 76 K CD . 17833 1 691 . 1 1 76 76 LYS CE C 13 42.426 0.127 . 1 . . . . 76 K CE . 17833 1 692 . 1 1 76 76 LYS N N 15 122.936 0.055 . 1 . . . . 76 K N . 17833 1 693 . 1 1 77 77 ASP H H 1 8.705 0.003 . 1 . . . . 77 D H . 17833 1 694 . 1 1 77 77 ASP HA H 1 4.298 0.005 . 1 . . . . 77 D HA . 17833 1 695 . 1 1 77 77 ASP HB2 H 1 2.693 0.004 . 2 . . . . 77 D HB2 . 17833 1 696 . 1 1 77 77 ASP HB3 H 1 2.559 0.007 . 2 . . . . 77 D HB3 . 17833 1 697 . 1 1 77 77 ASP C C 13 177.051 0.010 . 1 . . . . 77 D C . 17833 1 698 . 1 1 77 77 ASP CA C 13 57.524 0.122 . 1 . . . . 77 D CA . 17833 1 699 . 1 1 77 77 ASP CB C 13 40.219 0.158 . 1 . . . . 77 D CB . 17833 1 700 . 1 1 77 77 ASP N N 15 122.057 0.067 . 1 . . . . 77 D N . 17833 1 701 . 1 1 78 78 GLY H H 1 9.095 0.004 . 1 . . . . 78 G H . 17833 1 702 . 1 1 78 78 GLY HA2 H 1 4.639 0.006 . 2 . . . . 78 G HA2 . 17833 1 703 . 1 1 78 78 GLY HA3 H 1 3.483 0.005 . 2 . . . . 78 G HA3 . 17833 1 704 . 1 1 78 78 GLY C C 13 177.226 0.011 . 1 . . . . 78 G C . 17833 1 705 . 1 1 78 78 GLY CA C 13 45.503 0.118 . 1 . . . . 78 G CA . 17833 1 706 . 1 1 78 78 GLY N N 15 107.064 0.055 . 1 . . . . 78 G N . 17833 1 707 . 1 1 79 79 ILE H H 1 7.810 0.003 . 1 . . . . 79 I H . 17833 1 708 . 1 1 79 79 ILE HA H 1 3.910 0.005 . 1 . . . . 79 I HA . 17833 1 709 . 1 1 79 79 ILE HB H 1 1.627 0.006 . 1 . . . . 79 I HB . 17833 1 710 . 1 1 79 79 ILE HG12 H 1 1.250 0.006 . 2 . . . . 79 I HG12 . 17833 1 711 . 1 1 79 79 ILE HG13 H 1 1.044 0.008 . 2 . . . . 79 I HG13 . 17833 1 712 . 1 1 79 79 ILE HG21 H 1 1.071 0.009 . 2 . . . . 79 I HG2 . 17833 1 713 . 1 1 79 79 ILE HG22 H 1 1.071 0.009 . 2 . . . . 79 I HG2 . 17833 1 714 . 1 1 79 79 ILE HG23 H 1 1.071 0.009 . 2 . . . . 79 I HG2 . 17833 1 715 . 1 1 79 79 ILE HD11 H 1 0.444 0.006 . 2 . . . . 79 I HD1 . 17833 1 716 . 1 1 79 79 ILE HD12 H 1 0.444 0.006 . 2 . . . . 79 I HD1 . 17833 1 717 . 1 1 79 79 ILE HD13 H 1 0.444 0.006 . 2 . . . . 79 I HD1 . 17833 1 718 . 1 1 79 79 ILE C C 13 177.483 0.002 . 1 . . . . 79 I C . 17833 1 719 . 1 1 79 79 ILE CA C 13 66.294 0.110 . 1 . . . . 79 I CA . 17833 1 720 . 1 1 79 79 ILE CB C 13 39.624 0.153 . 1 . . . . 79 I CB . 17833 1 721 . 1 1 79 79 ILE CG1 C 13 31.748 0.204 . 1 . . . . 79 I CG1 . 17833 1 722 . 1 1 79 79 ILE CG2 C 13 17.453 0.161 . 1 . . . . 79 I CG2 . 17833 1 723 . 1 1 79 79 ILE CD1 C 13 14.390 0.139 . 1 . . . . 79 I CD1 . 17833 1 724 . 1 1 79 79 ILE N N 15 125.048 0.050 . 1 . . . . 79 I N . 17833 1 725 . 1 1 80 80 GLY H H 1 9.090 0.002 . 1 . . . . 80 G H . 17833 1 726 . 1 1 80 80 GLY HA2 H 1 4.446 0.011 . 2 . . . . 80 G HA2 . 17833 1 727 . 1 1 80 80 GLY HA3 H 1 3.846 0.003 . 2 . . . . 80 G HA3 . 17833 1 728 . 1 1 80 80 GLY C C 13 174.108 0.006 . 1 . . . . 80 G C . 17833 1 729 . 1 1 80 80 GLY CA C 13 46.050 0.117 . 1 . . . . 80 G CA . 17833 1 730 . 1 1 80 80 GLY N N 15 113.207 0.048 . 1 . . . . 80 G N . 17833 1 731 . 1 1 81 81 GLU H H 1 7.740 0.003 . 1 . . . . 81 E H . 17833 1 732 . 1 1 81 81 GLU HA H 1 4.242 0.005 . 1 . . . . 81 E HA . 17833 1 733 . 1 1 81 81 GLU HB2 H 1 1.970 0.006 . 2 . . . . 81 E HB2 . 17833 1 734 . 1 1 81 81 GLU HB3 H 1 2.205 0.011 . 2 . . . . 81 E HB3 . 17833 1 735 . 1 1 81 81 GLU HG2 H 1 2.091 0.007 . 2 . . . . 81 E HG2 . 17833 1 736 . 1 1 81 81 GLU HG3 H 1 2.223 0.006 . 2 . . . . 81 E HG3 . 17833 1 737 . 1 1 81 81 GLU C C 13 177.440 0.009 . 1 . . . . 81 E C . 17833 1 738 . 1 1 81 81 GLU CA C 13 55.200 0.093 . 1 . . . . 81 E CA . 17833 1 739 . 1 1 81 81 GLU CB C 13 30.978 0.151 . 1 . . . . 81 E CB . 17833 1 740 . 1 1 81 81 GLU CG C 13 36.668 0.139 . 1 . . . . 81 E CG . 17833 1 741 . 1 1 81 81 GLU N N 15 116.562 0.043 . 1 . . . . 81 E N . 17833 1 742 . 1 1 82 82 GLY H H 1 7.897 0.003 . 1 . . . . 82 G H . 17833 1 743 . 1 1 82 82 GLY HA2 H 1 4.002 0.005 . 2 . . . . 82 G HA2 . 17833 1 744 . 1 1 82 82 GLY HA3 H 1 3.558 0.006 . 2 . . . . 82 G HA3 . 17833 1 745 . 1 1 82 82 GLY C C 13 172.127 0.014 . 1 . . . . 82 G C . 17833 1 746 . 1 1 82 82 GLY CA C 13 47.102 0.116 . 1 . . . . 82 G CA . 17833 1 747 . 1 1 82 82 GLY N N 15 111.329 0.059 . 1 . . . . 82 G N . 17833 1 748 . 1 1 83 83 LYS H H 1 7.713 0.003 . 1 . . . . 83 K H . 17833 1 749 . 1 1 83 83 LYS HA H 1 5.133 0.007 . 1 . . . . 83 K HA . 17833 1 750 . 1 1 83 83 LYS HB2 H 1 1.687 0.005 . 2 . . . . 83 K HB2 . 17833 1 751 . 1 1 83 83 LYS HB3 H 1 1.522 0.004 . 2 . . . . 83 K HB3 . 17833 1 752 . 1 1 83 83 LYS HG2 H 1 1.153 0.004 . 2 . . . . 83 K HG2 . 17833 1 753 . 1 1 83 83 LYS HG3 H 1 1.204 0.009 . 2 . . . . 83 K HG3 . 17833 1 754 . 1 1 83 83 LYS HD2 H 1 1.523 0.006 . 2 . . . . 83 K HD2 . 17833 1 755 . 1 1 83 83 LYS HD3 H 1 1.523 0.006 . 2 . . . . 83 K HD3 . 17833 1 756 . 1 1 83 83 LYS HE2 H 1 2.778 0.005 . 2 . . . . 83 K HE2 . 17833 1 757 . 1 1 83 83 LYS HE3 H 1 2.778 0.005 . 2 . . . . 83 K HE3 . 17833 1 758 . 1 1 83 83 LYS C C 13 176.650 0.006 . 1 . . . . 83 K C . 17833 1 759 . 1 1 83 83 LYS CA C 13 55.069 0.094 . 1 . . . . 83 K CA . 17833 1 760 . 1 1 83 83 LYS CB C 13 35.525 0.110 . 1 . . . . 83 K CB . 17833 1 761 . 1 1 83 83 LYS CG C 13 25.364 0.161 . 1 . . . . 83 K CG . 17833 1 762 . 1 1 83 83 LYS CD C 13 29.774 0.172 . 1 . . . . 83 K CD . 17833 1 763 . 1 1 83 83 LYS CE C 13 42.302 0.131 . 1 . . . . 83 K CE . 17833 1 764 . 1 1 83 83 LYS N N 15 120.894 0.046 . 1 . . . . 83 K N . 17833 1 765 . 1 1 84 84 VAL H H 1 8.656 0.003 . 1 . . . . 84 V H . 17833 1 766 . 1 1 84 84 VAL HA H 1 4.650 0.007 . 1 . . . . 84 V HA . 17833 1 767 . 1 1 84 84 VAL HB H 1 2.035 0.004 . 1 . . . . 84 V HB . 17833 1 768 . 1 1 84 84 VAL HG11 H 1 0.990 0.005 . 2 . . . . 84 V MG1 . 17833 1 769 . 1 1 84 84 VAL HG12 H 1 0.990 0.005 . 2 . . . . 84 V MG1 . 17833 1 770 . 1 1 84 84 VAL HG13 H 1 0.990 0.005 . 2 . . . . 84 V MG1 . 17833 1 771 . 1 1 84 84 VAL HG21 H 1 0.785 0.006 . 2 . . . . 84 V MG2 . 17833 1 772 . 1 1 84 84 VAL HG22 H 1 0.785 0.006 . 2 . . . . 84 V MG2 . 17833 1 773 . 1 1 84 84 VAL HG23 H 1 0.785 0.006 . 2 . . . . 84 V MG2 . 17833 1 774 . 1 1 84 84 VAL C C 13 173.798 0.001 . 1 . . . . 84 V C . 17833 1 775 . 1 1 84 84 VAL CA C 13 59.932 0.108 . 1 . . . . 84 V CA . 17833 1 776 . 1 1 84 84 VAL CB C 13 36.270 0.174 . 1 . . . . 84 V CB . 17833 1 777 . 1 1 84 84 VAL CG1 C 13 19.364 0.163 . 2 . . . . 84 V CG1 . 17833 1 778 . 1 1 84 84 VAL CG2 C 13 22.594 0.172 . 2 . . . . 84 V CG2 . 17833 1 779 . 1 1 84 84 VAL N N 15 114.623 0.043 . 1 . . . . 84 V N . 17833 1 780 . 1 1 85 85 THR H H 1 7.155 0.003 . 1 . . . . 85 T H . 17833 1 781 . 1 1 85 85 THR HA H 1 5.154 0.006 . 1 . . . . 85 T HA . 17833 1 782 . 1 1 85 85 THR HG21 H 1 0.906 0.006 . 2 . . . . 85 T HG2 . 17833 1 783 . 1 1 85 85 THR HG22 H 1 0.906 0.006 . 2 . . . . 85 T HG2 . 17833 1 784 . 1 1 85 85 THR HG23 H 1 0.906 0.006 . 2 . . . . 85 T HG2 . 17833 1 785 . 1 1 85 85 THR C C 13 171.574 0.003 . 1 . . . . 85 T C . 17833 1 786 . 1 1 85 85 THR CA C 13 61.243 0.104 . 1 . . . . 85 T CA . 17833 1 787 . 1 1 85 85 THR CB C 13 72.101 0.071 . 1 . . . . 85 T CB . 17833 1 788 . 1 1 85 85 THR CG2 C 13 20.770 0.000 . 1 . . . . 85 T CG2 . 17833 1 789 . 1 1 85 85 THR N N 15 117.190 0.042 . 1 . . . . 85 T N . 17833 1 790 . 1 1 86 86 LEU H H 1 9.298 0.003 . 1 . . . . 86 L H . 17833 1 791 . 1 1 86 86 LEU HA H 1 4.322 0.006 . 1 . . . . 86 L HA . 17833 1 792 . 1 1 86 86 LEU HB2 H 1 0.286 0.009 . 2 . . . . 86 L HB2 . 17833 1 793 . 1 1 86 86 LEU HB3 H 1 -0.801 0.006 . 2 . . . . 86 L HB3 . 17833 1 794 . 1 1 86 86 LEU HG H 1 0.027 0.006 . 1 . . . . 86 L HG . 17833 1 795 . 1 1 86 86 LEU HD11 H 1 -0.207 0.005 . 2 . . . . 86 L HD1 . 17833 1 796 . 1 1 86 86 LEU HD12 H 1 -0.207 0.005 . 2 . . . . 86 L HD1 . 17833 1 797 . 1 1 86 86 LEU HD13 H 1 -0.207 0.005 . 2 . . . . 86 L HD1 . 17833 1 798 . 1 1 86 86 LEU HD21 H 1 0.617 0.007 . 2 . . . . 86 L HD2 . 17833 1 799 . 1 1 86 86 LEU HD22 H 1 0.617 0.007 . 2 . . . . 86 L HD2 . 17833 1 800 . 1 1 86 86 LEU HD23 H 1 0.617 0.007 . 2 . . . . 86 L HD2 . 17833 1 801 . 1 1 86 86 LEU C C 13 173.518 0.002 . 1 . . . . 86 L C . 17833 1 802 . 1 1 86 86 LEU CA C 13 53.169 0.101 . 1 . . . . 86 L CA . 17833 1 803 . 1 1 86 86 LEU CB C 13 43.200 0.181 . 1 . . . . 86 L CB . 17833 1 804 . 1 1 86 86 LEU CG C 13 23.510 0.170 . 1 . . . . 86 L CG . 17833 1 805 . 1 1 86 86 LEU CD1 C 13 25.245 0.157 . 2 . . . . 86 L CD1 . 17833 1 806 . 1 1 86 86 LEU CD2 C 13 26.082 0.217 . 2 . . . . 86 L CD2 . 17833 1 807 . 1 1 86 86 LEU N N 15 130.476 0.045 . 1 . . . . 86 L N . 17833 1 808 . 1 1 87 87 ARG H H 1 8.902 0.005 . 1 . . . . 87 R H . 17833 1 809 . 1 1 87 87 ARG HA H 1 5.111 0.004 . 1 . . . . 87 R HA . 17833 1 810 . 1 1 87 87 ARG HB2 H 1 1.399 0.008 . 2 . . . . 87 R HB2 . 17833 1 811 . 1 1 87 87 ARG HB3 H 1 1.326 0.008 . 2 . . . . 87 R HB3 . 17833 1 812 . 1 1 87 87 ARG HG2 H 1 1.159 0.006 . 2 . . . . 87 R HG2 . 17833 1 813 . 1 1 87 87 ARG HG3 H 1 0.846 0.006 . 2 . . . . 87 R HG3 . 17833 1 814 . 1 1 87 87 ARG HD2 H 1 3.070 0.006 . 2 . . . . 87 R HD2 . 17833 1 815 . 1 1 87 87 ARG HD3 H 1 2.979 0.003 . 2 . . . . 87 R HD3 . 17833 1 816 . 1 1 87 87 ARG C C 13 174.261 0.010 . 1 . . . . 87 R C . 17833 1 817 . 1 1 87 87 ARG CA C 13 54.025 0.121 . 1 . . . . 87 R CA . 17833 1 818 . 1 1 87 87 ARG CB C 13 33.234 0.121 . 1 . . . . 87 R CB . 17833 1 819 . 1 1 87 87 ARG CG C 13 27.068 0.140 . 1 . . . . 87 R CG . 17833 1 820 . 1 1 87 87 ARG CD C 13 44.297 0.135 . 1 . . . . 87 R CD . 17833 1 821 . 1 1 87 87 ARG N N 15 127.252 0.051 . 1 . . . . 87 R N . 17833 1 822 . 1 1 88 88 ILE H H 1 8.637 0.003 . 1 . . . . 88 I H . 17833 1 823 . 1 1 88 88 ILE HA H 1 4.704 0.004 . 1 . . . . 88 I HA . 17833 1 824 . 1 1 88 88 ILE HB H 1 1.370 0.006 . 1 . . . . 88 I HB . 17833 1 825 . 1 1 88 88 ILE HG12 H 1 1.130 0.005 . 2 . . . . 88 I HG12 . 17833 1 826 . 1 1 88 88 ILE HG13 H 1 0.674 0.006 . 2 . . . . 88 I HG13 . 17833 1 827 . 1 1 88 88 ILE HG21 H 1 0.933 0.006 . 2 . . . . 88 I HG2 . 17833 1 828 . 1 1 88 88 ILE HG22 H 1 0.933 0.006 . 2 . . . . 88 I HG2 . 17833 1 829 . 1 1 88 88 ILE HG23 H 1 0.933 0.006 . 2 . . . . 88 I HG2 . 17833 1 830 . 1 1 88 88 ILE HD11 H 1 0.569 0.006 . 2 . . . . 88 I HD1 . 17833 1 831 . 1 1 88 88 ILE HD12 H 1 0.569 0.006 . 2 . . . . 88 I HD1 . 17833 1 832 . 1 1 88 88 ILE HD13 H 1 0.569 0.006 . 2 . . . . 88 I HD1 . 17833 1 833 . 1 1 88 88 ILE C C 13 175.399 0.006 . 1 . . . . 88 I C . 17833 1 834 . 1 1 88 88 ILE CA C 13 59.797 0.049 . 1 . . . . 88 I CA . 17833 1 835 . 1 1 88 88 ILE CB C 13 40.454 0.142 . 1 . . . . 88 I CB . 17833 1 836 . 1 1 88 88 ILE CG1 C 13 27.334 0.181 . 1 . . . . 88 I CG1 . 17833 1 837 . 1 1 88 88 ILE CG2 C 13 17.549 0.135 . 1 . . . . 88 I CG2 . 17833 1 838 . 1 1 88 88 ILE CD1 C 13 14.641 0.131 . 1 . . . . 88 I CD1 . 17833 1 839 . 1 1 88 88 ILE N N 15 123.172 0.049 . 1 . . . . 88 I N . 17833 1 840 . 1 1 89 89 PHE H H 1 8.586 0.007 . 1 . . . . 89 F H . 17833 1 841 . 1 1 89 89 PHE HA H 1 4.875 0.006 . 1 . . . . 89 F HA . 17833 1 842 . 1 1 89 89 PHE HB2 H 1 2.760 0.006 . 2 . . . . 89 F HB2 . 17833 1 843 . 1 1 89 89 PHE HB3 H 1 3.141 0.005 . 2 . . . . 89 F HB3 . 17833 1 844 . 1 1 89 89 PHE C C 13 176.103 0.009 . 1 . . . . 89 F C . 17833 1 845 . 1 1 89 89 PHE CA C 13 56.817 0.157 . 1 . . . . 89 F CA . 17833 1 846 . 1 1 89 89 PHE CB C 13 41.102 0.166 . 1 . . . . 89 F CB . 17833 1 847 . 1 1 89 89 PHE N N 15 124.987 0.050 . 1 . . . . 89 F N . 17833 1 848 . 1 1 90 90 ASN H H 1 8.230 0.002 . 1 . . . . 90 N H . 17833 1 849 . 1 1 90 90 ASN HA H 1 4.136 0.004 . 1 . . . . 90 N HA . 17833 1 850 . 1 1 90 90 ASN HB2 H 1 3.048 0.003 . 2 . . . . 90 N HB2 . 17833 1 851 . 1 1 90 90 ASN HB3 H 1 2.698 0.005 . 2 . . . . 90 N HB3 . 17833 1 852 . 1 1 90 90 ASN C C 13 174.745 0.050 . 1 . . . . 90 N C . 17833 1 853 . 1 1 90 90 ASN CA C 13 53.570 0.114 . 1 . . . . 90 N CA . 17833 1 854 . 1 1 90 90 ASN CB C 13 36.726 0.147 . 1 . . . . 90 N CB . 17833 1 855 . 1 1 90 90 ASN N N 15 118.313 0.039 . 1 . . . . 90 N N . 17833 1 856 . 1 1 91 91 VAL H H 1 8.647 0.002 . 1 . . . . 91 V H . 17833 1 857 . 1 1 91 91 VAL HA H 1 4.152 0.007 . 1 . . . . 91 V HA . 17833 1 858 . 1 1 91 91 VAL HB H 1 2.187 0.006 . 1 . . . . 91 V HB . 17833 1 859 . 1 1 91 91 VAL HG11 H 1 0.805 0.006 . 2 . . . . 91 V MG1 . 17833 1 860 . 1 1 91 91 VAL HG12 H 1 0.805 0.006 . 2 . . . . 91 V MG1 . 17833 1 861 . 1 1 91 91 VAL HG13 H 1 0.805 0.006 . 2 . . . . 91 V MG1 . 17833 1 862 . 1 1 91 91 VAL HG21 H 1 0.757 0.006 . 2 . . . . 91 V MG2 . 17833 1 863 . 1 1 91 91 VAL HG22 H 1 0.757 0.006 . 2 . . . . 91 V MG2 . 17833 1 864 . 1 1 91 91 VAL HG23 H 1 0.757 0.006 . 2 . . . . 91 V MG2 . 17833 1 865 . 1 1 91 91 VAL C C 13 177.344 0.021 . 1 . . . . 91 V C . 17833 1 866 . 1 1 91 91 VAL CA C 13 62.939 0.139 . 1 . . . . 91 V CA . 17833 1 867 . 1 1 91 91 VAL CB C 13 32.985 0.211 . 1 . . . . 91 V CB . 17833 1 868 . 1 1 91 91 VAL CG1 C 13 22.777 0.100 . 2 . . . . 91 V CG1 . 17833 1 869 . 1 1 91 91 VAL CG2 C 13 20.629 0.228 . 2 . . . . 91 V CG2 . 17833 1 870 . 1 1 91 91 VAL N N 15 114.576 0.048 . 1 . . . . 91 V N . 17833 1 871 . 1 1 92 92 THR H H 1 9.448 0.003 . 1 . . . . 92 T H . 17833 1 872 . 1 1 92 92 THR HA H 1 4.783 0.006 . 1 . . . . 92 T HA . 17833 1 873 . 1 1 92 92 THR HB H 1 4.550 0.005 . 1 . . . . 92 T HB . 17833 1 874 . 1 1 92 92 THR HG21 H 1 1.256 0.005 . 2 . . . . 92 T HG2 . 17833 1 875 . 1 1 92 92 THR HG22 H 1 1.256 0.005 . 2 . . . . 92 T HG2 . 17833 1 876 . 1 1 92 92 THR HG23 H 1 1.256 0.005 . 2 . . . . 92 T HG2 . 17833 1 877 . 1 1 92 92 THR C C 13 175.594 0.009 . 1 . . . . 92 T C . 17833 1 878 . 1 1 92 92 THR CA C 13 59.748 0.073 . 1 . . . . 92 T CA . 17833 1 879 . 1 1 92 92 THR CB C 13 72.716 0.279 . 1 . . . . 92 T CB . 17833 1 880 . 1 1 92 92 THR CG2 C 13 21.438 0.150 . 1 . . . . 92 T CG2 . 17833 1 881 . 1 1 92 92 THR N N 15 116.064 0.063 . 1 . . . . 92 T N . 17833 1 882 . 1 1 93 93 VAL H H 1 8.355 0.004 . 1 . . . . 93 V H . 17833 1 883 . 1 1 93 93 VAL HA H 1 3.887 0.007 . 1 . . . . 93 V HA . 17833 1 884 . 1 1 93 93 VAL HB H 1 2.232 0.009 . 1 . . . . 93 V HB . 17833 1 885 . 1 1 93 93 VAL HG11 H 1 1.052 0.011 . 2 . . . . 93 V MG1 . 17833 1 886 . 1 1 93 93 VAL HG12 H 1 1.052 0.011 . 2 . . . . 93 V MG1 . 17833 1 887 . 1 1 93 93 VAL HG13 H 1 1.052 0.011 . 2 . . . . 93 V MG1 . 17833 1 888 . 1 1 93 93 VAL HG21 H 1 1.024 0.006 . 2 . . . . 93 V MG2 . 17833 1 889 . 1 1 93 93 VAL HG22 H 1 1.024 0.006 . 2 . . . . 93 V MG2 . 17833 1 890 . 1 1 93 93 VAL HG23 H 1 1.024 0.006 . 2 . . . . 93 V MG2 . 17833 1 891 . 1 1 93 93 VAL C C 13 176.950 0.010 . 1 . . . . 93 V C . 17833 1 892 . 1 1 93 93 VAL CA C 13 65.087 0.116 . 1 . . . . 93 V CA . 17833 1 893 . 1 1 93 93 VAL CB C 13 31.612 0.164 . 1 . . . . 93 V CB . 17833 1 894 . 1 1 93 93 VAL CG1 C 13 21.487 0.236 . 2 . . . . 93 V CG1 . 17833 1 895 . 1 1 93 93 VAL CG2 C 13 20.322 0.222 . 2 . . . . 93 V CG2 . 17833 1 896 . 1 1 93 93 VAL N N 15 115.962 0.051 . 1 . . . . 93 V N . 17833 1 897 . 1 1 94 94 ASP H H 1 7.725 0.002 . 1 . . . . 94 D H . 17833 1 898 . 1 1 94 94 ASP HA H 1 4.678 0.007 . 1 . . . . 94 D HA . 17833 1 899 . 1 1 94 94 ASP HB2 H 1 2.698 0.004 . 2 . . . . 94 D HB2 . 17833 1 900 . 1 1 94 94 ASP HB3 H 1 2.385 0.002 . 2 . . . . 94 D HB3 . 17833 1 901 . 1 1 94 94 ASP C C 13 176.096 0.002 . 1 . . . . 94 D C . 17833 1 902 . 1 1 94 94 ASP CA C 13 55.351 0.192 . 1 . . . . 94 D CA . 17833 1 903 . 1 1 94 94 ASP CB C 13 41.085 0.138 . 1 . . . . 94 D CB . 17833 1 904 . 1 1 94 94 ASP N N 15 118.298 0.038 . 1 . . . . 94 D N . 17833 1 905 . 1 1 95 95 ASP H H 1 7.880 0.002 . 1 . . . . 95 D H . 17833 1 906 . 1 1 95 95 ASP HA H 1 4.861 0.012 . 1 . . . . 95 D HA . 17833 1 907 . 1 1 95 95 ASP HB2 H 1 2.934 0.004 . 2 . . . . 95 D HB2 . 17833 1 908 . 1 1 95 95 ASP HB3 H 1 2.934 0.004 . 2 . . . . 95 D HB3 . 17833 1 909 . 1 1 95 95 ASP C C 13 176.187 0.013 . 1 . . . . 95 D C . 17833 1 910 . 1 1 95 95 ASP CA C 13 55.012 0.143 . 1 . . . . 95 D CA . 17833 1 911 . 1 1 95 95 ASP CB C 13 41.513 0.225 . 1 . . . . 95 D CB . 17833 1 912 . 1 1 95 95 ASP N N 15 116.635 0.065 . 1 . . . . 95 D N . 17833 1 913 . 1 1 96 96 ASP H H 1 7.641 0.003 . 1 . . . . 96 D H . 17833 1 914 . 1 1 96 96 ASP HA H 1 4.375 0.005 . 1 . . . . 96 D HA . 17833 1 915 . 1 1 96 96 ASP HB2 H 1 2.960 0.007 . 2 . . . . 96 D HB2 . 17833 1 916 . 1 1 96 96 ASP HB3 H 1 2.758 0.012 . 2 . . . . 96 D HB3 . 17833 1 917 . 1 1 96 96 ASP C C 13 175.699 0.011 . 1 . . . . 96 D C . 17833 1 918 . 1 1 96 96 ASP CA C 13 55.032 0.151 . 1 . . . . 96 D CA . 17833 1 919 . 1 1 96 96 ASP CB C 13 42.314 0.147 . 1 . . . . 96 D CB . 17833 1 920 . 1 1 96 96 ASP N N 15 121.331 0.059 . 1 . . . . 96 D N . 17833 1 921 . 1 1 97 97 GLY H H 1 8.448 0.005 . 1 . . . . 97 G H . 17833 1 922 . 1 1 97 97 GLY HA2 H 1 4.581 0.009 . 2 . . . . 97 G HA2 . 17833 1 923 . 1 1 97 97 GLY HA3 H 1 3.991 0.007 . 2 . . . . 97 G HA3 . 17833 1 924 . 1 1 97 97 GLY C C 13 172.830 0.000 . 1 . . . . 97 G C . 17833 1 925 . 1 1 97 97 GLY CA C 13 45.169 0.142 . 1 . . . . 97 G CA . 17833 1 926 . 1 1 97 97 GLY N N 15 107.816 0.067 . 1 . . . . 97 G N . 17833 1 927 . 1 1 98 98 SER H H 1 8.484 0.003 . 1 . . . . 98 S H . 17833 1 928 . 1 1 98 98 SER HA H 1 4.935 0.003 . 1 . . . . 98 S HA . 17833 1 929 . 1 1 98 98 SER HB2 H 1 3.844 0.010 . 2 . . . . 98 S HB2 . 17833 1 930 . 1 1 98 98 SER HB3 H 1 3.840 0.011 . 2 . . . . 98 S HB3 . 17833 1 931 . 1 1 98 98 SER C C 13 174.369 0.001 . 1 . . . . 98 S C . 17833 1 932 . 1 1 98 98 SER CA C 13 58.116 0.047 . 1 . . . . 98 S CA . 17833 1 933 . 1 1 98 98 SER CB C 13 63.233 0.101 . 1 . . . . 98 S CB . 17833 1 934 . 1 1 98 98 SER N N 15 116.405 0.047 . 1 . . . . 98 S N . 17833 1 935 . 1 1 99 99 TYR H H 1 9.226 0.002 . 1 . . . . 99 Y H . 17833 1 936 . 1 1 99 99 TYR HA H 1 4.893 0.005 . 1 . . . . 99 Y HA . 17833 1 937 . 1 1 99 99 TYR HB2 H 1 3.088 0.005 . 2 . . . . 99 Y HB2 . 17833 1 938 . 1 1 99 99 TYR HB3 H 1 2.589 0.005 . 2 . . . . 99 Y HB3 . 17833 1 939 . 1 1 99 99 TYR C C 13 175.918 0.010 . 1 . . . . 99 Y C . 17833 1 940 . 1 1 99 99 TYR CA C 13 58.279 0.122 . 1 . . . . 99 Y CA . 17833 1 941 . 1 1 99 99 TYR CB C 13 41.054 0.217 . 1 . . . . 99 Y CB . 17833 1 942 . 1 1 99 99 TYR N N 15 124.281 0.061 . 1 . . . . 99 Y N . 17833 1 943 . 1 1 100 100 HIS H H 1 9.476 0.004 . 1 . . . . 100 H H . 17833 1 944 . 1 1 100 100 HIS HA H 1 4.964 0.009 . 1 . . . . 100 H HA . 17833 1 945 . 1 1 100 100 HIS HB2 H 1 2.155 0.008 . 2 . . . . 100 H HB2 . 17833 1 946 . 1 1 100 100 HIS HB3 H 1 1.180 0.005 . 2 . . . . 100 H HB3 . 17833 1 947 . 1 1 100 100 HIS C C 13 173.643 0.003 . 1 . . . . 100 H C . 17833 1 948 . 1 1 100 100 HIS CA C 13 53.424 0.109 . 1 . . . . 100 H CA . 17833 1 949 . 1 1 100 100 HIS CB C 13 29.141 0.150 . 1 . . . . 100 H CB . 17833 1 950 . 1 1 100 100 HIS N N 15 123.288 0.063 . 1 . . . . 100 H N . 17833 1 951 . 1 1 101 101 CYS H H 1 8.681 0.003 . 1 . . . . 101 C H . 17833 1 952 . 1 1 101 101 CYS HA H 1 4.441 0.004 . 1 . . . . 101 C HA . 17833 1 953 . 1 1 101 101 CYS HB2 H 1 1.793 0.006 . 2 . . . . 101 C HB2 . 17833 1 954 . 1 1 101 101 CYS HB3 H 1 0.622 0.010 . 2 . . . . 101 C HB3 . 17833 1 955 . 1 1 101 101 CYS C C 13 172.015 0.006 . 1 . . . . 101 C C . 17833 1 956 . 1 1 101 101 CYS CA C 13 53.234 0.128 . 1 . . . . 101 C CA . 17833 1 957 . 1 1 101 101 CYS CB C 13 40.919 0.157 . 1 . . . . 101 C CB . 17833 1 958 . 1 1 101 101 CYS N N 15 118.341 0.036 . 1 . . . . 101 C N . 17833 1 959 . 1 1 102 102 VAL H H 1 9.114 0.005 . 1 . . . . 102 V H . 17833 1 960 . 1 1 102 102 VAL HA H 1 4.879 0.009 . 1 . . . . 102 V HA . 17833 1 961 . 1 1 102 102 VAL HB H 1 2.042 0.004 . 1 . . . . 102 V HB . 17833 1 962 . 1 1 102 102 VAL HG11 H 1 1.088 0.011 . 2 . . . . 102 V MG1 . 17833 1 963 . 1 1 102 102 VAL HG12 H 1 1.088 0.011 . 2 . . . . 102 V MG1 . 17833 1 964 . 1 1 102 102 VAL HG13 H 1 1.088 0.011 . 2 . . . . 102 V MG1 . 17833 1 965 . 1 1 102 102 VAL HG21 H 1 0.983 0.006 . 2 . . . . 102 V MG2 . 17833 1 966 . 1 1 102 102 VAL HG22 H 1 0.983 0.006 . 2 . . . . 102 V MG2 . 17833 1 967 . 1 1 102 102 VAL HG23 H 1 0.983 0.006 . 2 . . . . 102 V MG2 . 17833 1 968 . 1 1 102 102 VAL C C 13 175.006 0.006 . 1 . . . . 102 V C . 17833 1 969 . 1 1 102 102 VAL CA C 13 60.729 0.110 . 1 . . . . 102 V CA . 17833 1 970 . 1 1 102 102 VAL CB C 13 35.134 0.155 . 1 . . . . 102 V CB . 17833 1 971 . 1 1 102 102 VAL CG1 C 13 22.181 0.311 . 2 . . . . 102 V CG1 . 17833 1 972 . 1 1 102 102 VAL CG2 C 13 21.728 0.145 . 2 . . . . 102 V CG2 . 17833 1 973 . 1 1 102 102 VAL N N 15 124.021 0.045 . 1 . . . . 102 V N . 17833 1 974 . 1 1 103 103 PHE H H 1 8.663 0.009 . 1 . . . . 103 F H . 17833 1 975 . 1 1 103 103 PHE HA H 1 5.250 0.005 . 1 . . . . 103 F HA . 17833 1 976 . 1 1 103 103 PHE HB2 H 1 2.858 0.009 . 2 . . . . 103 F HB2 . 17833 1 977 . 1 1 103 103 PHE HB3 H 1 2.728 0.007 . 2 . . . . 103 F HB3 . 17833 1 978 . 1 1 103 103 PHE C C 13 173.933 0.006 . 1 . . . . 103 F C . 17833 1 979 . 1 1 103 103 PHE CA C 13 56.523 0.123 . 1 . . . . 103 F CA . 17833 1 980 . 1 1 103 103 PHE CB C 13 41.274 0.211 . 1 . . . . 103 F CB . 17833 1 981 . 1 1 103 103 PHE N N 15 126.414 0.044 . 1 . . . . 103 F N . 17833 1 982 . 1 1 104 104 LYS H H 1 9.440 0.006 . 1 . . . . 104 K H . 17833 1 983 . 1 1 104 104 LYS HA H 1 5.517 0.006 . 1 . . . . 104 K HA . 17833 1 984 . 1 1 104 104 LYS HB2 H 1 1.952 0.005 . 2 . . . . 104 K HB2 . 17833 1 985 . 1 1 104 104 LYS HB3 H 1 1.498 0.006 . 2 . . . . 104 K HB3 . 17833 1 986 . 1 1 104 104 LYS HG2 H 1 1.455 0.005 . 2 . . . . 104 K HG2 . 17833 1 987 . 1 1 104 104 LYS HG3 H 1 1.317 0.007 . 2 . . . . 104 K HG3 . 17833 1 988 . 1 1 104 104 LYS HD2 H 1 1.528 0.004 . 2 . . . . 104 K HD2 . 17833 1 989 . 1 1 104 104 LYS HD3 H 1 1.511 0.017 . 2 . . . . 104 K HD3 . 17833 1 990 . 1 1 104 104 LYS HE2 H 1 2.989 0.003 . 2 . . . . 104 K HE2 . 17833 1 991 . 1 1 104 104 LYS HE3 H 1 2.989 0.004 . 2 . . . . 104 K HE3 . 17833 1 992 . 1 1 104 104 LYS C C 13 174.993 0.004 . 1 . . . . 104 K C . 17833 1 993 . 1 1 104 104 LYS CA C 13 54.850 0.104 . 1 . . . . 104 K CA . 17833 1 994 . 1 1 104 104 LYS CB C 13 37.496 0.150 . 1 . . . . 104 K CB . 17833 1 995 . 1 1 104 104 LYS CG C 13 25.102 0.161 . 1 . . . . 104 K CG . 17833 1 996 . 1 1 104 104 LYS CD C 13 30.408 0.120 . 1 . . . . 104 K CD . 17833 1 997 . 1 1 104 104 LYS CE C 13 42.518 0.138 . 1 . . . . 104 K CE . 17833 1 998 . 1 1 104 104 LYS N N 15 123.291 0.040 . 1 . . . . 104 K N . 17833 1 999 . 1 1 105 105 ASP H H 1 9.490 0.004 . 1 . . . . 105 D H . 17833 1 1000 . 1 1 105 105 ASP HA H 1 5.206 0.005 . 1 . . . . 105 D HA . 17833 1 1001 . 1 1 105 105 ASP HB2 H 1 3.300 0.004 . 2 . . . . 105 D HB2 . 17833 1 1002 . 1 1 105 105 ASP HB3 H 1 2.918 0.005 . 2 . . . . 105 D HB3 . 17833 1 1003 . 1 1 105 105 ASP C C 13 176.182 0.015 . 1 . . . . 105 D C . 17833 1 1004 . 1 1 105 105 ASP CA C 13 52.467 0.083 . 1 . . . . 105 D CA . 17833 1 1005 . 1 1 105 105 ASP CB C 13 42.997 0.155 . 1 . . . . 105 D CB . 17833 1 1006 . 1 1 105 105 ASP N N 15 129.509 0.041 . 1 . . . . 105 D N . 17833 1 1007 . 1 1 106 106 GLY H H 1 8.825 0.002 . 1 . . . . 106 G H . 17833 1 1008 . 1 1 106 106 GLY HA2 H 1 4.113 0.007 . 2 . . . . 106 G HA2 . 17833 1 1009 . 1 1 106 106 GLY HA3 H 1 3.733 0.006 . 2 . . . . 106 G HA3 . 17833 1 1010 . 1 1 106 106 GLY C C 13 174.624 0.001 . 1 . . . . 106 G C . 17833 1 1011 . 1 1 106 106 GLY CA C 13 47.224 0.108 . 1 . . . . 106 G CA . 17833 1 1012 . 1 1 106 106 GLY N N 15 115.448 0.045 . 1 . . . . 106 G N . 17833 1 1013 . 1 1 107 107 ASP H H 1 8.886 0.004 . 1 . . . . 107 D H . 17833 1 1014 . 1 1 107 107 ASP HA H 1 4.686 0.006 . 1 . . . . 107 D HA . 17833 1 1015 . 1 1 107 107 ASP HB2 H 1 2.826 0.003 . 2 . . . . 107 D HB2 . 17833 1 1016 . 1 1 107 107 ASP HB3 H 1 2.540 0.007 . 2 . . . . 107 D HB3 . 17833 1 1017 . 1 1 107 107 ASP C C 13 175.663 0.003 . 1 . . . . 107 D C . 17833 1 1018 . 1 1 107 107 ASP CA C 13 54.954 0.121 . 1 . . . . 107 D CA . 17833 1 1019 . 1 1 107 107 ASP CB C 13 41.324 0.172 . 1 . . . . 107 D CB . 17833 1 1020 . 1 1 107 107 ASP N N 15 126.064 0.046 . 1 . . . . 107 D N . 17833 1 1021 . 1 1 108 108 PHE H H 1 7.914 0.002 . 1 . . . . 108 F H . 17833 1 1022 . 1 1 108 108 PHE HA H 1 4.562 0.005 . 1 . . . . 108 F HA . 17833 1 1023 . 1 1 108 108 PHE HB2 H 1 3.044 0.017 . 2 . . . . 108 F HB2 . 17833 1 1024 . 1 1 108 108 PHE HB3 H 1 3.105 0.010 . 2 . . . . 108 F HB3 . 17833 1 1025 . 1 1 108 108 PHE C C 13 173.323 0.007 . 1 . . . . 108 F C . 17833 1 1026 . 1 1 108 108 PHE CA C 13 58.239 0.113 . 1 . . . . 108 F CA . 17833 1 1027 . 1 1 108 108 PHE CB C 13 41.433 0.220 . 1 . . . . 108 F CB . 17833 1 1028 . 1 1 108 108 PHE N N 15 121.768 0.050 . 1 . . . . 108 F N . 17833 1 1029 . 1 1 109 109 TYR H H 1 7.147 0.003 . 1 . . . . 109 Y H . 17833 1 1030 . 1 1 109 109 TYR HA H 1 5.540 0.013 . 1 . . . . 109 Y HA . 17833 1 1031 . 1 1 109 109 TYR HB2 H 1 2.747 0.008 . 2 . . . . 109 Y HB2 . 17833 1 1032 . 1 1 109 109 TYR HB3 H 1 2.873 0.007 . 2 . . . . 109 Y HB3 . 17833 1 1033 . 1 1 109 109 TYR C C 13 172.555 0.004 . 1 . . . . 109 Y C . 17833 1 1034 . 1 1 109 109 TYR CA C 13 55.844 0.084 . 1 . . . . 109 Y CA . 17833 1 1035 . 1 1 109 109 TYR CB C 13 41.437 0.167 . 1 . . . . 109 Y CB . 17833 1 1036 . 1 1 109 109 TYR N N 15 123.015 0.052 . 1 . . . . 109 Y N . 17833 1 1037 . 1 1 110 110 GLU H H 1 8.520 0.005 . 1 . . . . 110 E H . 17833 1 1038 . 1 1 110 110 GLU HA H 1 4.401 0.009 . 1 . . . . 110 E HA . 17833 1 1039 . 1 1 110 110 GLU HB2 H 1 2.461 0.006 . 2 . . . . 110 E HB2 . 17833 1 1040 . 1 1 110 110 GLU HB3 H 1 1.746 0.009 . 2 . . . . 110 E HB3 . 17833 1 1041 . 1 1 110 110 GLU HG2 H 1 2.522 0.007 . 2 . . . . 110 E HG2 . 17833 1 1042 . 1 1 110 110 GLU HG3 H 1 2.888 0.006 . 2 . . . . 110 E HG3 . 17833 1 1043 . 1 1 110 110 GLU C C 13 174.406 0.000 . 1 . . . . 110 E C . 17833 1 1044 . 1 1 110 110 GLU CA C 13 55.534 0.085 . 1 . . . . 110 E CA . 17833 1 1045 . 1 1 110 110 GLU CB C 13 36.503 0.138 . 1 . . . . 110 E CB . 17833 1 1046 . 1 1 110 110 GLU CG C 13 37.549 0.041 . 1 . . . . 110 E CG . 17833 1 1047 . 1 1 110 110 GLU N N 15 121.074 0.089 . 1 . . . . 110 E N . 17833 1 1048 . 1 1 111 111 GLU H H 1 9.241 0.009 . 1 . . . . 111 E H . 17833 1 1049 . 1 1 111 111 GLU HA H 1 6.023 0.003 . 1 . . . . 111 E HA . 17833 1 1050 . 1 1 111 111 GLU HB2 H 1 2.016 0.004 . 2 . . . . 111 E HB2 . 17833 1 1051 . 1 1 111 111 GLU HB3 H 1 2.016 0.005 . 2 . . . . 111 E HB3 . 17833 1 1052 . 1 1 111 111 GLU HG2 H 1 2.330 0.008 . 2 . . . . 111 E HG2 . 17833 1 1053 . 1 1 111 111 GLU HG3 H 1 1.905 0.008 . 2 . . . . 111 E HG3 . 17833 1 1054 . 1 1 111 111 GLU C C 13 174.699 0.004 . 1 . . . . 111 E C . 17833 1 1055 . 1 1 111 111 GLU CA C 13 54.304 0.109 . 1 . . . . 111 E CA . 17833 1 1056 . 1 1 111 111 GLU CB C 13 36.291 0.135 . 1 . . . . 111 E CB . 17833 1 1057 . 1 1 111 111 GLU CG C 13 34.143 0.096 . 1 . . . . 111 E CG . 17833 1 1058 . 1 1 111 111 GLU N N 15 116.677 0.057 . 1 . . . . 111 E N . 17833 1 1059 . 1 1 112 112 HIS H H 1 8.180 0.002 . 1 . . . . 112 H H . 17833 1 1060 . 1 1 112 112 HIS C C 13 172.150 0.003 . 1 . . . . 112 H C . 17833 1 1061 . 1 1 112 112 HIS CA C 13 55.294 0.042 . 1 . . . . 112 H CA . 17833 1 1062 . 1 1 112 112 HIS CB C 13 31.553 0.015 . 1 . . . . 112 H CB . 17833 1 1063 . 1 1 112 112 HIS N N 15 117.629 0.040 . 1 . . . . 112 H N . 17833 1 1064 . 1 1 113 113 ILE H H 1 7.912 0.003 . 1 . . . . 113 I H . 17833 1 1065 . 1 1 113 113 ILE HA H 1 4.416 0.008 . 1 . . . . 113 I HA . 17833 1 1066 . 1 1 113 113 ILE HB H 1 1.237 0.007 . 1 . . . . 113 I HB . 17833 1 1067 . 1 1 113 113 ILE HG12 H 1 0.922 0.011 . 2 . . . . 113 I HG12 . 17833 1 1068 . 1 1 113 113 ILE HG13 H 1 -0.751 0.006 . 2 . . . . 113 I HG13 . 17833 1 1069 . 1 1 113 113 ILE HG21 H 1 0.343 0.005 . 2 . . . . 113 I HG2 . 17833 1 1070 . 1 1 113 113 ILE HG22 H 1 0.343 0.005 . 2 . . . . 113 I HG2 . 17833 1 1071 . 1 1 113 113 ILE HG23 H 1 0.343 0.005 . 2 . . . . 113 I HG2 . 17833 1 1072 . 1 1 113 113 ILE HD11 H 1 0.564 0.005 . 2 . . . . 113 I HD1 . 17833 1 1073 . 1 1 113 113 ILE HD12 H 1 0.564 0.005 . 2 . . . . 113 I HD1 . 17833 1 1074 . 1 1 113 113 ILE HD13 H 1 0.564 0.005 . 2 . . . . 113 I HD1 . 17833 1 1075 . 1 1 113 113 ILE C C 13 174.307 0.005 . 1 . . . . 113 I C . 17833 1 1076 . 1 1 113 113 ILE CA C 13 60.785 0.110 . 1 . . . . 113 I CA . 17833 1 1077 . 1 1 113 113 ILE CB C 13 39.784 0.139 . 1 . . . . 113 I CB . 17833 1 1078 . 1 1 113 113 ILE CG1 C 13 27.463 0.230 . 1 . . . . 113 I CG1 . 17833 1 1079 . 1 1 113 113 ILE CG2 C 13 17.844 0.164 . 1 . . . . 113 I CG2 . 17833 1 1080 . 1 1 113 113 ILE CD1 C 13 14.559 0.147 . 1 . . . . 113 I CD1 . 17833 1 1081 . 1 1 113 113 ILE N N 15 128.650 0.041 . 1 . . . . 113 I N . 17833 1 1082 . 1 1 114 114 THR H H 1 8.804 0.008 . 1 . . . . 114 T H . 17833 1 1083 . 1 1 114 114 THR HA H 1 4.501 0.007 . 1 . . . . 114 T HA . 17833 1 1084 . 1 1 114 114 THR HB H 1 3.932 0.008 . 1 . . . . 114 T HB . 17833 1 1085 . 1 1 114 114 THR HG21 H 1 1.303 0.007 . 2 . . . . 114 T HG2 . 17833 1 1086 . 1 1 114 114 THR HG22 H 1 1.303 0.007 . 2 . . . . 114 T HG2 . 17833 1 1087 . 1 1 114 114 THR HG23 H 1 1.303 0.007 . 2 . . . . 114 T HG2 . 17833 1 1088 . 1 1 114 114 THR C C 13 173.089 0.005 . 1 . . . . 114 T C . 17833 1 1089 . 1 1 114 114 THR CA C 13 61.982 0.114 . 1 . . . . 114 T CA . 17833 1 1090 . 1 1 114 114 THR CB C 13 71.749 0.220 . 1 . . . . 114 T CB . 17833 1 1091 . 1 1 114 114 THR CG2 C 13 21.910 0.248 . 1 . . . . 114 T CG2 . 17833 1 1092 . 1 1 114 114 THR N N 15 122.947 0.043 . 1 . . . . 114 T N . 17833 1 1093 . 1 1 115 115 GLU H H 1 8.703 0.003 . 1 . . . . 115 E H . 17833 1 1094 . 1 1 115 115 GLU HA H 1 4.817 0.004 . 1 . . . . 115 E HA . 17833 1 1095 . 1 1 115 115 GLU HB2 H 1 1.929 0.003 . 2 . . . . 115 E HB2 . 17833 1 1096 . 1 1 115 115 GLU HB3 H 1 2.166 0.003 . 2 . . . . 115 E HB3 . 17833 1 1097 . 1 1 115 115 GLU HG2 H 1 2.245 0.004 . 2 . . . . 115 E HG2 . 17833 1 1098 . 1 1 115 115 GLU HG3 H 1 2.273 0.002 . 2 . . . . 115 E HG3 . 17833 1 1099 . 1 1 115 115 GLU C C 13 175.104 0.004 . 1 . . . . 115 E C . 17833 1 1100 . 1 1 115 115 GLU CA C 13 56.473 0.036 . 1 . . . . 115 E CA . 17833 1 1101 . 1 1 115 115 GLU CB C 13 30.983 0.008 . 1 . . . . 115 E CB . 17833 1 1102 . 1 1 115 115 GLU CG C 13 35.761 0.000 . 1 . . . . 115 E CG . 17833 1 1103 . 1 1 115 115 GLU N N 15 128.434 0.054 . 1 . . . . 115 E N . 17833 1 1104 . 1 1 116 116 VAL H H 1 9.197 0.004 . 1 . . . . 116 V H . 17833 1 1105 . 1 1 116 116 VAL HA H 1 5.044 0.006 . 1 . . . . 116 V HA . 17833 1 1106 . 1 1 116 116 VAL HB H 1 2.383 0.006 . 1 . . . . 116 V HB . 17833 1 1107 . 1 1 116 116 VAL HG11 H 1 0.866 0.007 . 2 . . . . 116 V MG1 . 17833 1 1108 . 1 1 116 116 VAL HG12 H 1 0.866 0.007 . 2 . . . . 116 V MG1 . 17833 1 1109 . 1 1 116 116 VAL HG13 H 1 0.866 0.007 . 2 . . . . 116 V MG1 . 17833 1 1110 . 1 1 116 116 VAL HG21 H 1 0.876 0.009 . 2 . . . . 116 V MG2 . 17833 1 1111 . 1 1 116 116 VAL HG22 H 1 0.876 0.009 . 2 . . . . 116 V MG2 . 17833 1 1112 . 1 1 116 116 VAL HG23 H 1 0.876 0.009 . 2 . . . . 116 V MG2 . 17833 1 1113 . 1 1 116 116 VAL C C 13 175.879 0.003 . 1 . . . . 116 V C . 17833 1 1114 . 1 1 116 116 VAL CA C 13 61.299 0.095 . 1 . . . . 116 V CA . 17833 1 1115 . 1 1 116 116 VAL CB C 13 35.200 0.142 . 1 . . . . 116 V CB . 17833 1 1116 . 1 1 116 116 VAL CG1 C 13 22.229 0.166 . 2 . . . . 116 V CG1 . 17833 1 1117 . 1 1 116 116 VAL CG2 C 13 24.306 0.150 . 2 . . . . 116 V CG2 . 17833 1 1118 . 1 1 116 116 VAL N N 15 126.119 0.043 . 1 . . . . 116 V N . 17833 1 1119 . 1 1 117 117 LYS H H 1 9.009 0.003 . 1 . . . . 117 K H . 17833 1 1120 . 1 1 117 117 LYS HA H 1 4.979 0.010 . 1 . . . . 117 K HA . 17833 1 1121 . 1 1 117 117 LYS HB2 H 1 1.765 0.007 . 2 . . . . 117 K HB2 . 17833 1 1122 . 1 1 117 117 LYS HB3 H 1 1.577 0.005 . 2 . . . . 117 K HB3 . 17833 1 1123 . 1 1 117 117 LYS HG2 H 1 1.355 0.007 . 2 . . . . 117 K HG2 . 17833 1 1124 . 1 1 117 117 LYS HG3 H 1 1.354 0.006 . 2 . . . . 117 K HG3 . 17833 1 1125 . 1 1 117 117 LYS HD2 H 1 1.686 0.007 . 2 . . . . 117 K HD2 . 17833 1 1126 . 1 1 117 117 LYS HD3 H 1 1.686 0.006 . 2 . . . . 117 K HD3 . 17833 1 1127 . 1 1 117 117 LYS HE2 H 1 2.954 0.004 . 2 . . . . 117 K HE2 . 17833 1 1128 . 1 1 117 117 LYS HE3 H 1 2.954 0.004 . 2 . . . . 117 K HE3 . 17833 1 1129 . 1 1 117 117 LYS C C 13 174.001 0.002 . 1 . . . . 117 K C . 17833 1 1130 . 1 1 117 117 LYS CA C 13 54.440 0.123 . 1 . . . . 117 K CA . 17833 1 1131 . 1 1 117 117 LYS CB C 13 35.556 0.152 . 1 . . . . 117 K CB . 17833 1 1132 . 1 1 117 117 LYS CG C 13 24.841 0.187 . 1 . . . . 117 K CG . 17833 1 1133 . 1 1 117 117 LYS CD C 13 28.883 0.220 . 1 . . . . 117 K CD . 17833 1 1134 . 1 1 117 117 LYS CE C 13 42.151 0.209 . 1 . . . . 117 K CE . 17833 1 1135 . 1 1 117 117 LYS N N 15 129.497 0.051 . 1 . . . . 117 K N . 17833 1 1136 . 1 1 118 118 ILE H H 1 9.166 0.009 . 1 . . . . 118 I H . 17833 1 1137 . 1 1 118 118 ILE HA H 1 4.898 0.007 . 1 . . . . 118 I HA . 17833 1 1138 . 1 1 118 118 ILE HB H 1 1.890 0.007 . 1 . . . . 118 I HB . 17833 1 1139 . 1 1 118 118 ILE HG12 H 1 1.451 0.006 . 2 . . . . 118 I HG12 . 17833 1 1140 . 1 1 118 118 ILE HG13 H 1 1.262 0.010 . 2 . . . . 118 I HG13 . 17833 1 1141 . 1 1 118 118 ILE HG21 H 1 0.690 0.005 . 2 . . . . 118 I HG2 . 17833 1 1142 . 1 1 118 118 ILE HG22 H 1 0.690 0.005 . 2 . . . . 118 I HG2 . 17833 1 1143 . 1 1 118 118 ILE HG23 H 1 0.690 0.005 . 2 . . . . 118 I HG2 . 17833 1 1144 . 1 1 118 118 ILE HD11 H 1 0.623 0.006 . 2 . . . . 118 I HD1 . 17833 1 1145 . 1 1 118 118 ILE HD12 H 1 0.623 0.006 . 2 . . . . 118 I HD1 . 17833 1 1146 . 1 1 118 118 ILE HD13 H 1 0.623 0.006 . 2 . . . . 118 I HD1 . 17833 1 1147 . 1 1 118 118 ILE C C 13 176.460 0.003 . 1 . . . . 118 I C . 17833 1 1148 . 1 1 118 118 ILE CA C 13 58.980 0.080 . 1 . . . . 118 I CA . 17833 1 1149 . 1 1 118 118 ILE CB C 13 37.616 0.175 . 1 . . . . 118 I CB . 17833 1 1150 . 1 1 118 118 ILE CG1 C 13 28.269 0.199 . 1 . . . . 118 I CG1 . 17833 1 1151 . 1 1 118 118 ILE CG2 C 13 18.026 0.139 . 1 . . . . 118 I CG2 . 17833 1 1152 . 1 1 118 118 ILE CD1 C 13 12.295 0.194 . 1 . . . . 118 I CD1 . 17833 1 1153 . 1 1 118 118 ILE N N 15 126.646 0.047 . 1 . . . . 118 I N . 17833 1 1154 . 1 1 119 119 THR H H 1 8.491 0.003 . 1 . . . . 119 T H . 17833 1 1155 . 1 1 119 119 THR HA H 1 4.304 0.007 . 1 . . . . 119 T HA . 17833 1 1156 . 1 1 119 119 THR HB H 1 4.181 0.003 . 1 . . . . 119 T HB . 17833 1 1157 . 1 1 119 119 THR HG21 H 1 1.137 0.004 . 2 . . . . 119 T HG2 . 17833 1 1158 . 1 1 119 119 THR HG22 H 1 1.137 0.004 . 2 . . . . 119 T HG2 . 17833 1 1159 . 1 1 119 119 THR HG23 H 1 1.137 0.004 . 2 . . . . 119 T HG2 . 17833 1 1160 . 1 1 119 119 THR C C 13 178.657 0.000 . 1 . . . . 119 T C . 17833 1 1161 . 1 1 119 119 THR CA C 13 62.764 0.126 . 1 . . . . 119 T CA . 17833 1 1162 . 1 1 119 119 THR CB C 13 71.373 0.181 . 1 . . . . 119 T CB . 17833 1 1163 . 1 1 119 119 THR CG2 C 13 22.097 0.186 . 1 . . . . 119 T CG2 . 17833 1 1164 . 1 1 119 119 THR N N 15 125.938 0.049 . 1 . . . . 119 T N . 17833 1 stop_ save_